A0A3Q0KND4_SCHMA Loading...

Pyruvate carboxylase

Catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second.

AlphaFold DB , UniProt , Accession A0A3Q0KND4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,187 aa.

						>A0A3Q0KND4_SCHMA|A0A3Q0KND4
MSSTMLLSSRRLTPLLRTSQNFSLLRYYLKTDTGATQNTSGRKIKKLMVANRGEIAIRIFRACTEMNIRTVAIYSEQDKMQMHRQKADESYLIGKSLPPVAAYLNIPEIIQLALRHDVEAIHPGYGFLSERSEFAQACADAGIIFIGPPANVVKRMGDKVEARQAAINANVSVVPGSPGPITSSEEAMEFCKQYGLPVILKAAYGGGGRGMRVVRKLEDIKQNFELASSEALAAFGNGAMFIEKFIERPRHIEVQILGDKYGNVVHLYERDCSVQRRHQKLVEIAPAPSLDPTIRKSLLSDAVRLASSVDYENAGTVEFLYDQTTGRYYFIEVNARLQVEHTVTEEITGVDLVRSQIRLAEGRSLSDLNLSQDKIEPHGFAIQCRITTEDPAKQFQPDSGRIEVFQSGEGMGIRVDSASAFAGAIISPYYDSLLVKIIARASDFRLAAKKMLRSLAEFRIHGVKTNIPFLMNVIKHEQFLSGIVDTNFIDEHPDLFDLPPAKQRAQKLLRYIGNIMINGPSTMLATQLPPSDIEPKVPTISYANHIPRGWRNMLLEKGPVEFSKAIRSHPHLLITDTTMRDAHQSLLATRVRTFDLLRIGPYLAYQMPQLFSIENWGGATFDVSMRFLHECPWERLEQLRNIIPNIPFQMLLRGANAVGYKNYPDNIIYKFCEVAVKNGIDIFRIFDSLNYLPNLIMGMDAVGTAGGVVEGSICYSGDLANPKLDKYNLQYYMDLTDQLVKAGTHILGIKDMAGLLKPNAARILLSAIRDRYPDIPIHLHTHDTAGAGVACLLAAAESGVDIVDVAVDSMSGLTSQPSMGALVACLKHTDNDTGLSSEDVSTYSAYWEQTRSLYAPFECTTTMRSGNADVYENQIPGGQYTNLQFQSYSLGLGDQFENVKRKYTEANQLLGDIIKVTPSSKIVGDLAQFMVQNGLTAQQVLDRAEELSFPSSVIEFFSGEIGFPYGGFPEPLRTKIMRGQKAKTERVGSHMEPFDFDKLAKQLKEKFKRDFDERDLLSAALYPKVFNEFEEFRKIYGPVDRLPTRMFFVGPKIAEEFPVDLETGKMLHIKTLAVGELTKAGEREVFFEMNGQLRSILISDKEATKSISFHPKALKGVKGSIGSPMPGELVTINVKEGDVVEKGQKLATLSAMKMEMSITSPIAGCVKKIHVSSGMKVSGDDLLFDIE
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	36.6	Very low	236 Å²	236	147.9 Å²	147.9	100%	1.163	78%	0.778	S	S	*	*				0	78.4	0	-68.8	-178.1	173.1	0	0	106.5
2	S	34.4	Very low	36.6	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	78%	0.781	S	S	*	*				93.6	118.7	101.9	-61.7	0	0	0	0	108.6
3	S	35.7	Very low	36.5	Very low	97 Å²	97	146.8 Å²	146.8	68%	0.678	78%	0.78	S	S	*	*			cis	-171.2	137.4	11.7	-134.8	0	0	0	0	109.5
4	T	39.5	Very low	36.8	Very low	111 Å²	111	143.7 Å²	143.7	68%	0.681	77%	0.772	S	S	*	*				52	144.7	129	42.4	0	0	0	0	121.3
5	M	37.8	Very low	36.8	Very low	152 Å²	152	144 Å²	144	75%	0.749	77%	0.772	S	S	*	*			cis	-172.7	142.5	16.2	-113.2	175.1	176.7	0	0	110.4
6	L	37.5	Very low	36.5	Very low	122 Å²	122	143.7 Å²	143.7	64%	0.639	77%	0.77	S	S	*	*				69	117.8	126.4	-57.4	168.3	0	0	0	121
7	L	36.3	Very low	36.3	Very low	150 Å²	150	148.1 Å²	148.1	79%	0.785	77%	0.773	S	S	*	*				77.6	141.9	94	-71.3	173.5	0	0	0	112.8
8	S	36.2	Very low	36.2	Very low	96 Å²	96	146.7 Å²	146.7	67%	0.671	77%	0.772	S	S	*	*			cis	-168.8	148.4	10.6	47.2	0	0	0	0	110.7
9	S	34.8	Very low	35.9	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	77%	0.77	S	S	*	*			trans	19.9	134.4	141.5	70.8	0	0	0	0	123.7
10	R	37.3	Very low	35.8	Very low	222 Å²	222	146.2 Å²	146.2	84%	0.838	77%	0.773	S	S	*	*				155.6	107.6	111.4	-86.2	-178.7	-178.8	-157.8	0.7	109.7
11	R	35.7	Very low	35.7	Very low	228 Å²	228	146 Å²	146	86%	0.86	77%	0.773	S	S	*	*				88.3	120.2	91.6	-90.4	-163.9	-170.5	-157.7	3.4	114.8
12	L	36.8	Very low	35.7	Very low	157 Å²	157	144.4 Å²	144.4	82%	0.822	76%	0.759	S	S	*	*			trans	116.9	114.2	140.2	-70.2	150.9	0	0	0	118.3
13	T	34.8	Very low	35.6	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	75%	0.75	S	S	*	*			trans	-54.8	-178.4	168	22.2	0	0	0	0	116
14	P	41.9	Very low	35.7	Very low	103 Å²	103	146.1 Å²	146.1	67%	0.669	76%	0.758	S	S	*	*			cis	-140	-171.4	-32.5	36	-15.8	0	0	0	113.9
15	L	35.8	Very low	35.5	Very low	148 Å²	148	147.3 Å²	147.3	78%	0.775	76%	0.759	S	S	*	*			trans	99.4	116	150.7	-74.4	156.3	0	0	0	120.7
16	L	32.9	Very low	35.2	Very low	139 Å²	139	151 Å²	151	73%	0.728	77%	0.765	S	S	*	*			trans	91.2	112.1	140	-70.3	158	0	0	0	120.9
17	R	32.5	Very low	35.2	Very low	219 Å²	219	154.9 Å²	154.9	83%	0.826	77%	0.772	S	S	*	*			trans	88.7	125.7	136.1	-78.4	-176.7	177.1	-172.7	-0.5	120.7
18	T	34	Very low	35.2	Very low	123 Å²	123	156.3 Å²	156.3	76%	0.755	77%	0.769	S	S	*	*			trans	77.4	106.2	140.5	48.4	0	0	0	0	120.4
19	S	30.9	Very low	34.9	Very low	104 Å²	104	160 Å²	160	73%	0.727	78%	0.78	S	S	*	*			trans	44.8	114.5	135.6	64.3	0	0	0	0	120.1
20	Q	33.5	Very low	34.9	Very low	178 Å²	178	164.6 Å²	164.6	83%	0.832	79%	0.788	S	S	*	*				170.4	127	115.5	-93	178.4	-1.4	0	0	112.1
21	N	34.1	Very low	34.6	Very low	144 Å²	144	160.5 Å²	160.5	77%	0.77	79%	0.788	S	S	*	*			trans	31.6	134.8	139.3	-64.1	-20.8	0	0	0	122.8
22	F	37.2	Very low	34.5	Very low	202 Å²	202	157.1 Å²	157.1	89%	0.886	79%	0.787	S	S	*	*			trans	-179.8	97.5	130	-98.3	-76.8	0	0	0	107.5
23	S	33.1	Very low	34.3	Very low	89 Å²	89	156.2 Å²	156.2	62%	0.622	79%	0.788	S	S	*	*				69.5	125.5	89.4	88.2	0	0	0	0	117.2
24	L	36.8	Very low	34	Very low	160 Å²	160	153.6 Å²	153.6	84%	0.838	79%	0.786	S	S	*	*			trans	-167.6	93.1	136.8	-99.3	156.5	0	0	0	107.2
25	L	36.7	Very low	33.4	Very low	136 Å²	136	153.7 Å²	153.7	71%	0.712	80%	0.795	S	S	*	*				82.8	96.8	102.5	-112.2	79.2	0	0	0	113.9
26	R	31.1	Very low	33	Very low	231 Å²	231	152.8 Å²	152.8	87%	0.872	80%	0.796	S	S	*	*				74.4	113.7	97.7	-86.7	-173.2	173.1	174.7	-1.4	115
27	Y	36.5	Very low	32.8	Very low	202 Å²	202	155.3 Å²	155.3	79%	0.792	80%	0.804	S	S	*	*				-160.2	112.5	123.9	-126.1	-107.3	0	0	0	111.8
28	Y	36.6	Very low	32.6	Very low	180 Å²	180	152.4 Å²	152.4	71%	0.706	81%	0.805	S	S	*	*			trans	75.5	102.9	150.1	-80.1	-107.5	0	0	0	123.5
29	L	30.7	Very low	32.6	Very low	173 Å²	173	152.5 Å²	152.5	91%	0.906	81%	0.806	S	S	*	*			trans	-80	130.2	146.2	-82.7	153.7	0	0	0	109.8
30	K	33.9	Very low	33.2	Very low	193 Å²	193	152.3 Å²	152.3	84%	0.839	80%	0.804	S	S	*	*			trans	-138	121.9	148.3	-106.4	-174.3	177.9	-176.5	0	108
31	T	30.5	Very low	34.4	Very low	137 Å²	137	145.4 Å²	145.4	84%	0.84	78%	0.781	S	S	*	*			trans	-57.3	129.1	165.7	45.5	0	0	0	0	110.1
32	D	33.7	Very low	36.2	Very low	156 Å²	156	145.1 Å²	145.1	83%	0.834	77%	0.769	S	S	*	*			trans	-148.2	128.5	151	-140.8	-11.8	0	0	0	111
33	T	32.3	Very low	38.7	Very low	139 Å²	139	141.6 Å²	141.6	85%	0.853	75%	0.753	S	S	*	*			trans	-75.8	116.2	173.4	40.3	0	0	0	0	108.6
34	G	29.9	Very low	41.7	Very low	70 Å²	70	137.4 Å²	137.4	72%	0.722	72%	0.724	S	S	*	*			trans	-167.6	93.8	178.7	0	0	0	0	0	112.3	T36	G34-T36 PolarHBondContact O-N 3.3Å
35	A	28	Very low	44.6	Very low	104 Å²	104	137 Å²	137	86%	0.86	72%	0.715	S	S	*	*			trans	-70.1	107.9	165.4	0	0	0	0	0	109.3
36	T	28.7	Very low	47.5	Very low	129 Å²	129	131.8 Å²	131.8	79%	0.791	69%	0.687	S	S	*	*			trans	-164.6	112.2	158.2	36	0	0	0	0	111.1	G34	G34-T36 PolarHBondContact O-N 3.3Å
37	Q	28	Very low	50.7	Low	192 Å²	192	120.8 Å²	120.8	90%	0.897	65%	0.645	S	S	*	*			trans	14.3	112.3	148.8	-64.6	177.2	-10.8	0	0	118.4
38	N	28.7	Very low	53.6	Low	158 Å²	158	111.2 Å²	111.2	85%	0.845	61%	0.608	S	S	*	*			trans	-152	67.3	152.7	-131.7	-4.7	0	0	0	111.5	S40	N38-S40 VanDerWaalsContact C-N 3.27Å; N38-S40 PolarHBondContact O-N 3.07Å
39	T	34	Very low	56.6	Low	126 Å²	126	102.6 Å²	102.6	77%	0.773	57%	0.574	S	S	*	*			trans	-77.3	77.7	167	46.2	0	0	0	0	109.3
40	S	44.2	Very low	59.8	Low	100 Å²	100	94.4 Å²	94.4	70%	0.699	53%	0.531	S	S	*	.			trans	-103	100.1	171.3	160.5	0	0	0	0	108.8	N38	N38-S40 VanDerWaalsContact C-N 3.27Å; N38-S40 PolarHBondContact O-N 3.07Å
41	G	58.7	Low	62.8	Low	33 Å²	33	85.3 Å²	85.3	34%	0.34	49%	0.492	S	S	.	.			trans	-52.9	140.5	177.9	0	0	0	0	0	113.7	K43 E361	G41-K43 PolarHBondContact O-N 2.77Å; G41-E361 CarbonylContact C-O 3.48Å; G41-E361 WeakPolarHBondContact CA-O 3.46Å
42	R	71.8	Confident	65.9	Low	138 Å²	138	79.4 Å²	79.4	52%	0.521	45%	0.454	S	S	.	.			trans	-75.5	108.5	179.6	-177.6	179	177.2	179.1	-1	109	I44 E119 E361	R42-I44 PolarHBondContact O-N 2.75Å; R42-E119 IonicContact CZ-OE1 3.66Å; R42-E119 IonicContact NE-OE1 3.67Å; R42-E119 IonicContact NH2-OE1 3.35Å; R42-E119 PolarHBondContact NH2-OE1 3.25Å; R42-E361 PolarHBondContact N-O 3.02Å
43	K	89.4	Confident	68.8	Low	128 Å²	128	72.2 Å²	72.2	56%	0.557	42%	0.417	S	S	*	.			trans	-64	123	173.4	-172.5	179	-179.9	-178	0	110	G41 E361	G41-K43 PolarHBondContact O-N 2.77Å; K43-E361 WeakPolarHBondContact CA-OE1 3.49Å
44	I	96	Very high	71.8	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	38%	0.378	C	S	.	.			trans	-75.3	129.9	178.7	-66.1	161.6	0	0	0	108.4	R42 L47 I68 A120 I144 I146 I357 E361	R42-I44 PolarHBondContact O-N 2.75Å; I44-L47 HydrophobicContact CG2-CB 4.25Å; I44-I68 HydrophobicContact CB-CD1 4.36Å; I44-I68 HydrophobicContact CG2-CD1 4.44Å; I44-I68 HydrophobicContact CG2-CG2 3.95Å; I44-I68 WeakPolarHBondContact O-CG1 3.19Å; I44-A120 HydrophobicContact CD1-CB 3.74Å; I44-A120 HydrophobicContact CG1-CB 4.09Å; I44-A120 HydrophobicContact CG2-CB 3.86Å; I44-I144 HydrophobicContact CD1-CD1 4.39Å; I44-I144 HydrophobicContact CG1-CD1 4.07Å; I44-I146 HydrophobicContact CD1-CD1 4.43Å; I44-I357 HydrophobicContact CD1-CG2 4.19Å; I44-E361 HydrophobicContact CB-CG 4.41Å; I44-E361 HydrophobicContact CD1-CG 3.79Å; I44-E361 HydrophobicContact CG1-CG 3.9Å; I44-E361 PolarHBondContact N-OE1 3.45Å
45	K	96.6	Very high	74.9	Confident	151 Å²	151	62.8 Å²	62.8	66%	0.657	34%	0.344	S	S	*	.			trans	-104.4	-30.5	177.2	-63.9	179.4	-178.9	175.7	0	112.9	R69 E119	K45-R69 WeakPolarHBondContact O-CB 3.35Å; K45-R69 PolarHBondContact O-N 3Å; K45-E119 WeakPolarHBondContact CB-OE2 3.42Å; K45-E119 PolarHBondContact N-OE2 3.3Å
46	K	97.9	Very high	78.3	Confident	27 Å²	27	57.8 Å²	57.8	12%	0.117	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	124.4	-177.5	-164.2	173.6	-173.6	-176.7	0	111.5	R69 V71 E89 H116 V118 E119 A120	K46-R69 CarbonylContact C-O 3.53Å; K46-R69 VanDerWaalsContact CA-O 3.28Å; K46-R69 WeakPolarHBondContact CA-O 3.13Å; K46-R69 HydrophobicContact CB-CB 4.5Å; K46-R69 HydrophobicContact CG-CB 4.23Å; K46-V71 HydrophobicContact CD-CG2 4.32Å; K46-V71 VanDerWaalsContact CE-CG2 3.4Å; K46-V71 HydrophobicContact CG-CG2 4.1Å; K46-E89 WeakPolarHBondContact CE-OE1 3.23Å; K46-E89 WeakPolarHBondContact CE-OE2 3.45Å; K46-E89 IonicContact NZ-OE1 3.03Å; K46-E89 PolarHBondContact NZ-OE1 3.5Å; K46-E89 IonicContact NZ-OE2 2.75Å; K46-E89 PolarHBondContact NZ-OE2 3.15Å; K46-H116 WeakPolarHBondContact CD-O 3.42Å; K46-H116 WeakPolarHBondContact CE-O 3.48Å; K46-H116 PolarHBondContact NZ-O 3.12Å; K46-V118 HydrophobicContact CD-CG2 4.48Å; K46-V118 HydrophobicContact CG-CG2 4.47Å; K46-E119 PolarHBondContact O-N 2.99Å; K46-A120 PolarHBondContact O-N 3.34Å
47	L	98.3	Very high	81.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.4	-173.5	-175.7	158.5	0	0	0	110.7	I44 V49 I59 I68 R69 T70 V71 A120 H122 I146 I357	I44-L47 HydrophobicContact CG2-CB 4.25Å; L47-V49 HydrophobicContact CD2-CG2 3.76Å; L47-I59 HydrophobicContact CD2-CG2 4.02Å; L47-I68 HydrophobicContact CB-CG2 3.71Å; L47-R69 PolarHBondContact N-O 2.88Å; L47-T70 CarbonylContact O-C 3.57Å; L47-T70 WeakPolarHBondContact O-CA 3.4Å; L47-V71 PolarHBondContact O-N 2.84Å; L47-A120 CarbonylContact C-O 3.5Å; L47-A120 VanDerWaalsContact CA-O 3.3Å; L47-A120 WeakPolarHBondContact CA-O 3.1Å; L47-A120 HydrophobicContact CG-CB 4.36Å; L47-H122 HydrophobicContact CD2-CB 4Å; L47-I146 HydrophobicContact CD1-CD1 3.22Å; L47-I146 HydrophobicContact CG-CD1 4Å; L47-I357 HydrophobicContact CD1-CD1 4.24Å; L47-I357 HydrophobicContact CD1-CG1 4.15Å
48	M	98.6	Very high	84.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.4	170.9	178.6	-171.8	-74.1	0	0	110.8	V71 I73 I109 L112 A113 V118 A120 I121 H122	M48-V71 CarbonylContact C-O 3.25Å; M48-V71 VanDerWaalsContact CA-O 3.3Å; M48-V71 WeakPolarHBondContact CA-O 3.47Å; M48-V71 HydrophobicContact CB-CB 3.94Å; M48-V71 HydrophobicContact CB-CG1 4.42Å; M48-V71 HydrophobicContact CE-CG1 3.9Å; M48-V71 HydrophobicContact CG-CB 4.18Å; M48-V71 HydrophobicContact CG-CG1 4.21Å; M48-I73 HydrophobicContact CE-CG2 4.24Å; M48-I73 HydrophobicContact CG-CG2 4.26Å; M48-I73 HydrophobicContact SD-CG2 3.86Å; M48-I109 HydrophobicContact SD-CG2 4.07Å; M48-L112 HydrophobicContact CE-CB 4.32Å; M48-L112 HydrophobicContact CE-CD2 3.76Å; M48-L112 HydrophobicContact CE-CG 3.9Å; M48-A113 HydrophobicContact CE-CB 3.91Å; M48-A113 HydrophobicContact SD-CB 4.23Å; M48-V118 HydrophobicContact CB-CB 4.44Å; M48-V118 HydrophobicContact CB-CG1 3.58Å; M48-V118 HydrophobicContact CB-CG2 4.1Å; M48-V118 HydrophobicContact CE-CG2 4.17Å; M48-A120 PolarHBondContact N-O 3.01Å; M48-I121 HydrophobicContact CB-CG1 4.14Å; M48-I121 CarbonylContact O-C 3.48Å; M48-I121 VanDerWaalsContact O-CA 3.26Å; M48-I121 WeakPolarHBondContact O-CA 3.48Å; M48-H122 PolarHBondContact O-N 3.24Å
49	V	98.4	Very high	88.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.5	170.4	-179.2	0	0	0	0	109.7	L47 N51 A56 I59 F60 V71 H122	L47-V49 HydrophobicContact CD2-CG2 3.76Å; V49-N51 HydrophobicContact CG1-CB 3.82Å; V49-N51 PolarHBondContact O-N 2.59Å; V49-A56 HydrophobicContact CG1-CB 3.97Å; V49-I59 HydrophobicContact CG1-CD1 3.88Å; V49-I59 HydrophobicContact CG2-CB 3.8Å; V49-I59 HydrophobicContact CG2-CD1 4.27Å; V49-I59 HydrophobicContact CG2-CG2 3.44Å; V49-I59 VanDerWaalsContact CG2-CG2 3.44Å; V49-F60 HydrophobicContact CB-CE1 3.62Å; V49-F60 HydrophobicContact CB-CZ 3.82Å; V49-F60 HydrophobicContact CG2-CD1 3.76Å; V49-F60 HydrophobicContact CG2-CE1 3.26Å; V49-F60 HydrophobicContact CG2-CZ 3.95Å; V49-V71 PolarHBondContact N-O 2.97Å; V49-H122 WeakPolarHBondContact CA-O 3.49Å; V49-H122 HydrophobicContact CG2-CB 4.5Å
50	A	97.8	Very high	91.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.			trans	-84.5	53.3	178.5	0	0	0	0	0	111.5	I73 I109 I121 H122 F134	A50-I73 HydrophobicContact CB-CD1 4.2Å; A50-I109 HydrophobicContact CB-CG2 4.36Å; A50-I121 HydrophobicContact CB-CG2 3.75Å; A50-H122 PolarHBondContact N-O 3.01Å; A50-F134 HydrophobicContact CB-CE1 3.96Å; A50-F134 HydrophobicContact CB-CZ 3.77Å
51	N	97.3	Very high	93.7	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	14%	0.136	C	C	.	.			trans	-157.3	-176.3	-175.1	-143.2	-57.9	0	0	0	111.6	V49 I55 P123 Y125	V49-N51 HydrophobicContact CG1-CB 3.82Å; V49-N51 PolarHBondContact O-N 2.59Å; N51-I55 HydrophobicContact CB-CG2 4.15Å; N51-I55 WeakPolarHBondContact OD1-CG2 3.45Å; N51-P123 PolarHBondContact ND2-O 3.31Å; N51-Y125 PolarHBondContact ND2-N 2.92Å; N51-Y125 PolarHBondContact ND2-O 2.92Å
52	R	95.6	Very high	95.6	Very high	13 Å²	13	28.8 Å²	28.8	5%	0.049	12%	0.12	C	C	.	.			trans	-133.8	175.2	179.3	67.4	-180	-61.4	-75.2	-1.3	111.7	I55 D78 Y103 F127 Y430 D431	R52-I55 WeakPolarHBondContact O-CG2 3.46Å; R52-D78 IonicContact CZ-OD1 3.73Å; R52-D78 IonicContact CZ-OD2 2.78Å; R52-D78 IonicContact NE-OD1 2.94Å; R52-D78 IonicContact NE-OD2 2.68Å; R52-D78 PolarHBondContact NE-OD2 3.32Å; R52-D78 IonicContact NH2-OD1 2.75Å; R52-D78 PolarHBondContact NH2-OD1 3.46Å; R52-D78 IonicContact NH2-OD2 3.24Å; R52-D78 PolarHBondContact NH2-OD2 3.11Å; R52-Y103 HydrophobicContact CB-CE1 3.88Å; R52-Y103 HydrophobicContact CB-CE2 4.33Å; R52-Y103 WeakPolarHBondContact CB-OH 3.41Å; R52-F127 HydrophobicContact CG-CE2 3.86Å; R52-F127 HydrophobicContact CG-CZ 4.08Å; R52-Y430 VanDerWaalsContact CZ-CG 3.48Å; R52-D431 IonicContact NH1-OD1 3.49Å; R52-D431 PolarHBondContact NH1-OD1 3.14Å
53	G	94	Very high	96.8	Very high	5 Å²	5	22.2 Å²	22.2	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	67.2	-146.8	166.6	0	0	0	0	0	113.8	I55 A56 I57 A418	G53-I55 PolarHBondContact O-N 3.31Å; G53-A56 PolarHBondContact O-N 2.9Å; G53-I57 PolarHBondContact O-N 2.85Å; G53-A418 VanDerWaalsContact CA-CB 3.5Å; G53-A418 WeakPolarHBondContact O-CB 3.33Å
54	E	95	Very high	97.2	Very high	10 Å²	10	20 Å²	20	5%	0.047	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-42.7	-168.9	73.7	82.8	176.7	0	0	111.8	A56 I57 R58 Y125 A418 L433 K436	E54-A56 VanDerWaalsContact C-N 3.3Å; E54-A56 PolarHBondContact O-N 3.25Å; E54-I57 CarbonylContact O-C 3.39Å; E54-I57 WeakPolarHBondContact O-CB 3.36Å; E54-I57 PolarHBondContact O-N 3.46Å; E54-I57 VanDerWaalsContact O-N 3.08Å; E54-R58 PolarHBondContact O-N 3.4Å; E54-Y125 VanDerWaalsContact CD-OH 3.31Å; E54-Y125 WeakPolarHBondContact CG-OH 3.39Å; E54-Y125 VanDerWaalsContact OE1-CE1 3.31Å; E54-Y125 WeakPolarHBondContact OE1-CE1 3.5Å; E54-Y125 PolarHBondContact OE1-OH 3.43Å; E54-A418 HydrophobicContact CB-CB 4.13Å; E54-L433 HydrophobicContact CG-CD2 3.89Å; E54-K436 HydrophobicContact CG-CD 4.25Å; E54-K436 WeakPolarHBondContact OE1-CD 3.45Å; E54-K436 WeakPolarHBondContact OE1-CE 3.18Å; E54-K436 IonicContact OE1-NZ 2.72Å; E54-K436 PolarHBondContact OE1-NZ 2.99Å; E54-K436 WeakPolarHBondContact OE2-CE 3.31Å; E54-K436 IonicContact OE2-NZ 3.59Å; E54-K436 PolarHBondContact OE2-NZ 2.96Å
55	I	97	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.7	-35.6	-176	-174.8	55.4	0	0	0	112.1	N51 R52 G53 R58 I59 Y125 L337	N51-I55 HydrophobicContact CB-CG2 4.15Å; N51-I55 WeakPolarHBondContact OD1-CG2 3.45Å; R52-I55 WeakPolarHBondContact O-CG2 3.46Å; G53-I55 PolarHBondContact O-N 3.31Å; I55-R58 HydrophobicContact CD1-CB 4.43Å; I55-R58 HydrophobicContact CD1-CG 4.44Å; I55-R58 PolarHBondContact O-N 3.34Å; I55-I59 HydrophobicContact CD1-CD1 4.12Å; I55-I59 HydrophobicContact CD1-CG1 4.25Å; I55-I59 HydrophobicContact CG1-CD1 3.97Å; I55-I59 WeakPolarHBondContact O-CD1 3.44Å; I55-I59 VanDerWaalsContact O-CG1 3.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 3.03Å; I55-Y125 HydrophobicContact CB-CD1 3.96Å; I55-Y125 HydrophobicContact CB-CE1 3.37Å; I55-Y125 HydrophobicContact CD1-CD1 3.92Å; I55-Y125 HydrophobicContact CD1-CE1 3.85Å; I55-Y125 HydrophobicContact CG1-CD1 3.66Å; I55-Y125 HydrophobicContact CG1-CE1 3.58Å; I55-Y125 HydrophobicContact CG1-CG 4.48Å; I55-Y125 HydrophobicContact CG2-CD1 4.4Å; I55-Y125 HydrophobicContact CG2-CE1 3.94Å; I55-Y125 HydrophobicContact CG2-CE2 4.23Å; I55-L337 HydrophobicContact CD1-CD2 3.82Å
56	A	97.4	Very high	97.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-46.3	173.4	0	0	0	0	0	111	V49 G53 E54 R58 I59 F60 H83	V49-A56 HydrophobicContact CG1-CB 3.97Å; G53-A56 PolarHBondContact O-N 2.9Å; E54-A56 VanDerWaalsContact C-N 3.3Å; E54-A56 PolarHBondContact O-N 3.25Å; A56-R58 PolarHBondContact O-N 3.14Å; A56-I59 PolarHBondContact O-N 3.13Å; A56-F60 HydrophobicContact CB-CE2 3.84Å; A56-F60 HydrophobicContact CB-CZ 4.15Å; A56-F60 WeakPolarHBondContact O-CD2 3.47Å; A56-F60 WeakPolarHBondContact O-CE2 3.31Å; A56-F60 WeakPolarHBondContact O-CG 3.37Å; A56-F60 PolarHBondContact O-N 3.18Å; A56-H83 HydrophobicContact CB-CB 3.88Å
57	I	97.1	Very high	97.2	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-42.8	176	-62.7	179.7	0	0	0	111.6	G53 E54 I59 F60 R61 M82 H83 K86 A418	G53-I57 PolarHBondContact O-N 2.85Å; E54-I57 CarbonylContact O-C 3.39Å; E54-I57 WeakPolarHBondContact O-CB 3.36Å; E54-I57 PolarHBondContact O-N 3.46Å; E54-I57 VanDerWaalsContact O-N 3.08Å; I57-I59 VanDerWaalsContact C-N 3.29Å; I57-I59 PolarHBondContact O-N 2.95Å; I57-F60 PolarHBondContact O-N 2.89Å; I57-R61 HydrophobicContact CG2-CG 4.41Å; I57-R61 WeakPolarHBondContact O-CG 3.34Å; I57-R61 PolarHBondContact O-N 3.2Å; I57-M82 HydrophobicContact CD1-CB 4.18Å; I57-M82 HydrophobicContact CD1-CG 4.19Å; I57-M82 HydrophobicContact CD1-SD 4.44Å; I57-H83 HydrophobicContact CD1-CB 4.34Å; I57-H83 HydrophobicContact CG1-CB 3.83Å; I57-K86 HydrophobicContact CD1-CG 4.04Å; I57-K86 HydrophobicContact CG1-CB 4.2Å; I57-K86 HydrophobicContact CG1-CG 4.04Å; I57-K86 HydrophobicContact CG2-CG 4.41Å; I57-A418 HydrophobicContact CD1-CB 3.64Å; I57-A418 HydrophobicContact CG1-CB 4.46Å
58	R	97.5	Very high	97.1	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.038	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-41.5	177.2	171.4	62.2	-171.7	99.7	-6.2	111.8	E54 I55 A56 A62 E345 D351 V353	E54-R58 PolarHBondContact O-N 3.4Å; I55-R58 HydrophobicContact CD1-CB 4.43Å; I55-R58 HydrophobicContact CD1-CG 4.44Å; I55-R58 PolarHBondContact O-N 3.34Å; A56-R58 PolarHBondContact O-N 3.14Å; R58-A62 PolarHBondContact O-N 3.3Å; R58-E345 IonicContact CZ-OE1 3.3Å; R58-E345 IonicContact CZ-OE2 3.62Å; R58-E345 IonicContact NE-OE2 2.9Å; R58-E345 IonicContact NH2-OE1 3.55Å; R58-E345 PolarHBondContact NH2-OE1 2.9Å; R58-E345 IonicContact NH2-OE2 3.44Å; R58-E345 PolarHBondContact NH2-OE2 2.74Å; R58-D351 IonicContact CZ-OD1 3.88Å; R58-D351 IonicContact CZ-OD2 3.73Å; R58-D351 IonicContact NH1-OD1 3.32Å; R58-D351 IonicContact NH1-OD2 2.78Å; R58-D351 IonicContact NH2-OD1 3.57Å; R58-D351 PolarHBondContact NH2-OD1 3.47Å; R58-D351 IonicContact NH2-OD2 2.76Å; R58-D351 PolarHBondContact NH2-OD2 3.33Å; R58-V353 HydrophobicContact CG-CG2 4.07Å; R58-V353 VanDerWaalsContact CZ-CG2 3.49Å
59	I	98.2	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.5	-42	176.1	-63.1	159.6	0	0	0	111.4	L47 V49 I55 A56 I57 R61 A62 C63 H122 V353	L47-I59 HydrophobicContact CD2-CG2 4.02Å; V49-I59 HydrophobicContact CG1-CD1 3.88Å; V49-I59 HydrophobicContact CG2-CB 3.8Å; V49-I59 HydrophobicContact CG2-CD1 4.27Å; V49-I59 HydrophobicContact CG2-CG2 3.44Å; V49-I59 VanDerWaalsContact CG2-CG2 3.44Å; I55-I59 HydrophobicContact CD1-CD1 4.12Å; I55-I59 HydrophobicContact CD1-CG1 4.25Å; I55-I59 HydrophobicContact CG1-CD1 3.97Å; I55-I59 WeakPolarHBondContact O-CD1 3.44Å; I55-I59 VanDerWaalsContact O-CG1 3.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 3.03Å; A56-I59 PolarHBondContact O-N 3.13Å; I57-I59 VanDerWaalsContact C-N 3.29Å; I57-I59 PolarHBondContact O-N 2.95Å; I59-R61 VanDerWaalsContact C-N 3.29Å; I59-R61 PolarHBondContact O-N 3.06Å; I59-A62 PolarHBondContact O-N 3.34Å; I59-C63 PolarHBondContact O-N 3.49Å; I59-C63 PolarHBondContact O-SG 2.99Å; I59-H122 HydrophobicContact CD1-CB 4.11Å; I59-H122 HydrophobicContact CG2-CB 4.05Å; I59-V353 HydrophobicContact CB-CG1 4.32Å; I59-V353 HydrophobicContact CG1-CG1 3.92Å; I59-V353 HydrophobicContact CG2-CG1 4.37Å
60	F	97.9	Very high	97.1	Very high	3 Å²	3	31 Å²	31	1%	0.013	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-37.8	176.4	-59.3	-36.4	0	0	0	112.6	V49 A56 I57 C63 T64 T70 A72 H83 K86 A87	V49-F60 HydrophobicContact CB-CE1 3.62Å; V49-F60 HydrophobicContact CB-CZ 3.82Å; V49-F60 HydrophobicContact CG2-CD1 3.76Å; V49-F60 HydrophobicContact CG2-CE1 3.26Å; V49-F60 HydrophobicContact CG2-CZ 3.95Å; A56-F60 HydrophobicContact CB-CE2 3.84Å; A56-F60 HydrophobicContact CB-CZ 4.15Å; A56-F60 WeakPolarHBondContact O-CD2 3.47Å; A56-F60 WeakPolarHBondContact O-CE2 3.31Å; A56-F60 WeakPolarHBondContact O-CG 3.37Å; A56-F60 PolarHBondContact O-N 3.18Å; I57-F60 PolarHBondContact O-N 2.89Å; F60-C63 PolarHBondContact O-N 3.49Å; F60-T64 WeakPolarHBondContact O-CB 3.36Å; F60-T64 PolarHBondContact O-N 3.4Å; F60-T64 PolarHBondContact O-OG1 3.3Å; F60-T70 HydrophobicContact CB-CG2 4.22Å; F60-T70 HydrophobicContact CD1-CG2 3.73Å; F60-T70 HydrophobicContact CG-CG2 4.36Å; F60-A72 HydrophobicContact CE2-CB 4.02Å; F60-A72 HydrophobicContact CZ-CB 3.62Å; F60-H83 HydrophobicContact CE2-CB 4.47Å; F60-H83 VanDerWaalsContact CE2-O 3.31Å; F60-H83 WeakPolarHBondContact CE2-O 3.28Å; F60-K86 HydrophobicContact CD2-CB 4.16Å; F60-A87 HydrophobicContact CD1-CB 4.2Å; F60-A87 HydrophobicContact CD2-CB 4.14Å; F60-A87 HydrophobicContact CE1-CB 3.9Å; F60-A87 HydrophobicContact CE2-CB 3.89Å; F60-A87 HydrophobicContact CG-CB 4.32Å; F60-A87 HydrophobicContact CZ-CB 3.78Å
61	R	97.6	Very high	97.1	Very high	111 Å²	111	31 Å²	31	42%	0.419	15%	0.145	S	C	.	.	H	α-helix	trans	-58.2	-52.8	173.4	-74.1	168.8	174	173.1	-4.6	111.4	I57 I59 C63 T64 E65	I57-R61 HydrophobicContact CG2-CG 4.41Å; I57-R61 WeakPolarHBondContact O-CG 3.34Å; I57-R61 PolarHBondContact O-N 3.2Å; I59-R61 VanDerWaalsContact C-N 3.29Å; I59-R61 PolarHBondContact O-N 3.06Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.34Å; R61-T64 PolarHBondContact O-N 2.72Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 2.95Å
62	A	97.7	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-43.9	176.5	0	0	0	0	0	112.1	R58 I59 T64 E65 M66 V353 I357	R58-A62 PolarHBondContact O-N 3.3Å; I59-A62 PolarHBondContact O-N 3.34Å; A62-T64 PolarHBondContact O-N 2.81Å; A62-E65 PolarHBondContact O-N 3.15Å; A62-M66 WeakPolarHBondContact O-CB 3.37Å; A62-M66 WeakPolarHBondContact O-CG 3.37Å; A62-M66 PolarHBondContact O-N 2.71Å; A62-V353 HydrophobicContact CB-CB 4.1Å; A62-V353 HydrophobicContact CB-CG1 3.65Å; A62-I357 HydrophobicContact CB-CD1 4.26Å
63	C	98	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-45	177.6	-66.3	0	0	0	0	112	I59 F60 R61 M66 N67 I68 T70	I59-C63 PolarHBondContact O-N 3.49Å; I59-C63 PolarHBondContact O-SG 2.99Å; F60-C63 PolarHBondContact O-N 3.49Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.34Å; C63-M66 CarbonylContact O-C 3.51Å; C63-M66 WeakPolarHBondContact O-CA 3.4Å; C63-M66 PolarHBondContact O-N 2.94Å; C63-M66 VanDerWaalsContact O-N 3.08Å; C63-N67 PolarHBondContact O-N 2.72Å; C63-I68 HydrophobicContact CB-CB 4Å; C63-I68 HydrophobicContact CB-CG2 4.39Å; C63-I68 PolarHBondContact O-N 3.37Å; C63-T70 HydrophobicContact CB-CG2 3.33Å
64	T	97	Very high	97.4	Very high	83 Å²	83	31.4 Å²	31.4	51%	0.509	15%	0.145	S	C	.	.	H	α-helix	trans	-61.4	-47.1	179.4	-57.3	0	0	0	0	110.8	F60 R61 A62 M66 N67	F60-T64 WeakPolarHBondContact O-CB 3.36Å; F60-T64 PolarHBondContact O-N 3.4Å; F60-T64 PolarHBondContact O-OG1 3.3Å; R61-T64 PolarHBondContact O-N 2.72Å; A62-T64 PolarHBondContact O-N 2.81Å; T64-M66 PolarHBondContact O-N 2.95Å; T64-N67 PolarHBondContact O-N 2.77Å
65	E	97.1	Very high	97.4	Very high	119 Å²	119	31 Å²	31	56%	0.556	14%	0.143	S	C	*	.	H	α-helix	trans	-60.4	-28.7	175.1	-69	163.3	-161.8	0	0	112.6	R61 A62	R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 2.95Å; A62-E65 PolarHBondContact O-N 3.15Å
66	M	96.2	Very high	97.2	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.039	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.2	176.8	-65.8	173.4	73.2	0	0	114	A62 C63 T64 I68 R354 I357 R358	A62-M66 WeakPolarHBondContact O-CB 3.37Å; A62-M66 WeakPolarHBondContact O-CG 3.37Å; A62-M66 PolarHBondContact O-N 2.71Å; C63-M66 CarbonylContact O-C 3.51Å; C63-M66 WeakPolarHBondContact O-CA 3.4Å; C63-M66 PolarHBondContact O-N 2.94Å; C63-M66 VanDerWaalsContact O-N 3.08Å; T64-M66 PolarHBondContact O-N 2.95Å; M66-I68 HydrophobicContact CB-CD1 3.92Å; M66-I68 HydrophobicContact CB-CG1 3.96Å; M66-I68 HydrophobicContact CE-CD1 4.09Å; M66-I68 HydrophobicContact SD-CD1 4.39Å; M66-R354 HydrophobicContact CE-CG 4.29Å; M66-R354 HydrophobicContact CG-CG 4.26Å; M66-R354 HydrophobicContact SD-CB 4.12Å; M66-R354 HydrophobicContact SD-CG 3.71Å; M66-I357 HydrophobicContact CE-CB 3.85Å; M66-I357 HydrophobicContact CE-CG2 3.48Å; M66-I357 VanDerWaalsContact CE-CG2 3.48Å; M66-I357 HydrophobicContact SD-CB 4.09Å; M66-I357 HydrophobicContact SD-CD1 3.81Å; M66-I357 HydrophobicContact SD-CG2 4.09Å; M66-R358 HydrophobicContact CE-CG 3.87Å
67	N	96.6	Very high	96.9	Very high	142 Å²	142	38.1 Å²	38.1	76%	0.759	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	42.2	-172.6	-56	-80.3	0	0	0	113.5	C63 T64	C63-N67 PolarHBondContact O-N 2.72Å; T64-N67 PolarHBondContact O-N 2.77Å
68	I	97.8	Very high	96.6	Very high	5 Å²	5	38 Å²	38	3%	0.026	18%	0.176	C	C	.	.			trans	-106	126.8	175.3	-58.2	177.8	0	0	0	108.2	I44 L47 C63 M66 I357	I44-I68 HydrophobicContact CB-CD1 4.36Å; I44-I68 HydrophobicContact CG2-CD1 4.44Å; I44-I68 HydrophobicContact CG2-CG2 3.95Å; I44-I68 WeakPolarHBondContact O-CG1 3.19Å; L47-I68 HydrophobicContact CB-CG2 3.71Å; C63-I68 HydrophobicContact CB-CB 4Å; C63-I68 HydrophobicContact CB-CG2 4.39Å; C63-I68 PolarHBondContact O-N 3.37Å; M66-I68 HydrophobicContact CB-CD1 3.92Å; M66-I68 HydrophobicContact CB-CG1 3.96Å; M66-I68 HydrophobicContact CE-CD1 4.09Å; M66-I68 HydrophobicContact SD-CD1 4.39Å; I68-I357 HydrophobicContact CD1-CG2 3.66Å
69	R	98.1	Very high	96.3	Very high	135 Å²	135	43 Å²	43	51%	0.509	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.1	177.1	-168	172.1	-177.4	173.2	-1.7	110.5	K45 K46 L47 D88 E89	K45-R69 WeakPolarHBondContact O-CB 3.35Å; K45-R69 PolarHBondContact O-N 3Å; K46-R69 CarbonylContact C-O 3.53Å; K46-R69 VanDerWaalsContact CA-O 3.28Å; K46-R69 WeakPolarHBondContact CA-O 3.13Å; K46-R69 HydrophobicContact CB-CB 4.5Å; K46-R69 HydrophobicContact CG-CB 4.23Å; L47-R69 PolarHBondContact N-O 2.88Å; R69-D88 WeakPolarHBondContact CA-OD2 3.37Å; R69-D88 HydrophobicContact CG-CB 3.82Å; R69-E89 IonicContact CZ-OE1 3.87Å; R69-E89 IonicContact NE-OE1 3.29Å; R69-E89 PolarHBondContact NE-OE1 3.24Å; R69-E89 IonicContact NH1-OE1 2.81Å; R69-E89 IonicContact NH2-OE1 3.98Å; R69-E89 PolarHBondContact NH2-OE1 3.49Å
70	T	98.4	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.6	-167.4	52.7	0	0	0	0	112.9	L47 F60 C63 A87 D88 E89	L47-T70 CarbonylContact O-C 3.57Å; L47-T70 WeakPolarHBondContact O-CA 3.4Å; F60-T70 HydrophobicContact CB-CG2 4.22Å; F60-T70 HydrophobicContact CD1-CG2 3.73Å; F60-T70 HydrophobicContact CG-CG2 4.36Å; C63-T70 HydrophobicContact CB-CG2 3.33Å; T70-A87 VanDerWaalsContact OG1-CA 3.25Å; T70-A87 WeakPolarHBondContact OG1-CA 3.4Å; T70-D88 PolarHBondContact N-OD2 2.99Å; T70-D88 WeakPolarHBondContact O-CB 3.42Å; T70-D88 PolarHBondContact O-N 3.1Å; T70-D88 PolarHBondContact OG1-N 3.35Å; T70-D88 PolarHBondContact OG1-OD2 3.46Å; T70-E89 PolarHBondContact O-N 3.22Å
71	V	98.5	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.3	175.9	-174.3	0	0	0	0	110.4	K46 L47 M48 V49 E89 Y91 V118	K46-V71 HydrophobicContact CD-CG2 4.32Å; K46-V71 VanDerWaalsContact CE-CG2 3.4Å; K46-V71 HydrophobicContact CG-CG2 4.1Å; L47-V71 PolarHBondContact O-N 2.84Å; M48-V71 CarbonylContact C-O 3.25Å; M48-V71 VanDerWaalsContact CA-O 3.3Å; M48-V71 WeakPolarHBondContact CA-O 3.47Å; M48-V71 HydrophobicContact CB-CB 3.94Å; M48-V71 HydrophobicContact CB-CG1 4.42Å; M48-V71 HydrophobicContact CE-CG1 3.9Å; M48-V71 HydrophobicContact CG-CB 4.18Å; M48-V71 HydrophobicContact CG-CG1 4.21Å; V49-V71 PolarHBondContact N-O 2.97Å; V71-E89 CarbonylContact C-O 3.57Å; V71-E89 WeakPolarHBondContact CA-O 3.48Å; V71-E89 HydrophobicContact CG1-CB 4.47Å; V71-E89 HydrophobicContact CG2-CB 4.29Å; V71-Y91 HydrophobicContact CG1-CD2 3.58Å; V71-Y91 HydrophobicContact CG1-CE2 3.65Å; V71-V118 HydrophobicContact CB-CG2 4.4Å; V71-V118 HydrophobicContact CG2-CG2 3.85Å
72	A	98.2	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	150.7	172.2	0	0	0	0	0	112.2	F60 A87 E89 S90 Y91	F60-A72 HydrophobicContact CE2-CB 4.02Å; F60-A72 HydrophobicContact CZ-CB 3.62Å; A72-A87 HydrophobicContact CB-CB 3.62Å; A72-E89 PolarHBondContact N-O 3.04Å; A72-S90 CarbonylContact O-C 3.59Å; A72-S90 VanDerWaalsContact O-CA 3.27Å; A72-S90 WeakPolarHBondContact O-CA 3.43Å; A72-Y91 PolarHBondContact O-N 3.19Å
73	I	97.9	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.6	165.4	65.1	-176.5	0	0	0	109.9	M48 A50 H83 Y91 I93 Y103 I109 L112	M48-I73 HydrophobicContact CE-CG2 4.24Å; M48-I73 HydrophobicContact CG-CG2 4.26Å; M48-I73 HydrophobicContact SD-CG2 3.86Å; A50-I73 HydrophobicContact CB-CD1 4.2Å; I73-H83 PolarHBondContact O-NE2 3.49Å; I73-Y91 WeakPolarHBondContact CA-O 3.45Å; I73-I93 HydrophobicContact CB-CD1 4Å; I73-I93 HydrophobicContact CB-CG1 4.4Å; I73-I93 HydrophobicContact CB-CG2 3.96Å; I73-I93 HydrophobicContact CD1-CD1 3.75Å; I73-I93 HydrophobicContact CG1-CD1 3.94Å; I73-I93 HydrophobicContact CG2-CG2 4.09Å; I73-Y103 HydrophobicContact CD1-CD1 4.3Å; I73-Y103 HydrophobicContact CG1-CD1 4.19Å; I73-Y103 HydrophobicContact CG1-CE1 4.08Å; I73-I109 HydrophobicContact CD1-CD1 3.83Å; I73-I109 HydrophobicContact CD1-CG1 3.94Å; I73-L112 HydrophobicContact CG2-CD2 3.69Å
74	Y	96.6	Very high	94.8	Very high	30 Å²	30	50.1 Å²	50.1	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	150.8	179.8	66.1	-83.2	0	0	0	112.4	K79 R84 Y91 L92 I93 Y103	Y74-K79 HydrophobicContact CE2-CB 4.45Å; Y74-R84 HydrophobicContact CD1-CB 4.37Å; Y74-R84 HydrophobicContact CD1-CG 3.61Å; Y74-R84 HydrophobicContact CE1-CG 3.85Å; Y74-R84 HydrophobicContact CG-CB 4.48Å; Y74-R84 HydrophobicContact CG-CG 4.04Å; Y74-R84 VanDerWaalsContact CZ-NE 3.35Å; Y74-Y91 VanDerWaalsContact CD1-O 3.24Å; Y74-Y91 WeakPolarHBondContact CD1-O 3.23Å; Y74-Y91 PolarHBondContact N-O 3.21Å; Y74-L92 HydrophobicContact CD2-CD1 4.17Å; Y74-L92 HydrophobicContact CE1-CB 4.47Å; Y74-L92 HydrophobicContact CE2-CB 4Å; Y74-L92 HydrophobicContact CE2-CD1 3.99Å; Y74-L92 CarbonylContact O-C 3.59Å; Y74-L92 WeakPolarHBondContact O-CA 3.33Å; Y74-L92 WeakPolarHBondContact O-CD1 3.47Å; Y74-I93 WeakPolarHBondContact O-CG1 3.43Å; Y74-I93 PolarHBondContact O-N 3.23Å; Y74-Y103 WeakPolarHBondContact CA-OH 3.44Å
75	S	94.7	Very high	94.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.24	C	C	.	.			trans	-84.6	172	172.4	72.8	0	0	0	0	112	Q77 D78 K79 L92 Y430	S75-Q77 PolarHBondContact O-N 3.08Å; S75-Q77 PolarHBondContact OG-N 3.04Å; S75-D78 PolarHBondContact O-N 2.98Å; S75-D78 VanDerWaalsContact O-N 3.15Å; S75-D78 PolarHBondContact OG-N 3Å; S75-D78 VanDerWaalsContact OG-N 3.1Å; S75-K79 PolarHBondContact O-N 2.83Å; S75-L92 VanDerWaalsContact C-CD1 3.48Å; S75-Y430 WeakPolarHBondContact CB-OH 3.47Å; S75-Y430 PolarHBondContact OG-OH 2.95Å
76	E	92.9	Very high	94.5	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.411	24%	0.238	S	C	.	.	S	Bend	trans	-59	-33.4	173.4	-68.1	-175.4	171.3	0	0	113	K79 L92	E76-K79 WeakPolarHBondContact O-CG 3.13Å; E76-L92 HydrophobicContact CG-CD1 3.91Å; E76-L92 HydrophobicContact CG-CD2 4.35Å
77	Q	89.9	Confident	94.5	Very high	63 Å²	63	52.6 Å²	52.6	29%	0.294	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-26.6	-179.8	-64.9	74.3	23.5	0	0	112.2	S75 P99 Y429 Y430	S75-Q77 PolarHBondContact O-N 3.08Å; S75-Q77 PolarHBondContact OG-N 3.04Å; Q77-P99 HydrophobicContact CG-CB 4.33Å; Q77-P99 HydrophobicContact CG-CG 3.9Å; Q77-Y429 HydrophobicContact CB-CD2 3.79Å; Q77-Y429 HydrophobicContact CB-CE2 4.11Å; Q77-Y429 HydrophobicContact CG-CD2 3.62Å; Q77-Y429 HydrophobicContact CG-CE2 3.56Å; Q77-Y429 HydrophobicContact CG-CG 4.4Å; Q77-Y430 HydrophobicContact CB-CE2 4.3Å
78	D	91.5	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	10.7	177.4	-80.7	-25.4	0	0	0	113.9	R52 S75 M80 Q81 Y103 Y430	R52-D78 IonicContact CZ-OD1 3.73Å; R52-D78 IonicContact CZ-OD2 2.78Å; R52-D78 IonicContact NE-OD1 2.94Å; R52-D78 IonicContact NE-OD2 2.68Å; R52-D78 PolarHBondContact NE-OD2 3.32Å; R52-D78 IonicContact NH2-OD1 2.75Å; R52-D78 PolarHBondContact NH2-OD1 3.46Å; R52-D78 IonicContact NH2-OD2 3.24Å; R52-D78 PolarHBondContact NH2-OD2 3.11Å; S75-D78 PolarHBondContact O-N 2.98Å; S75-D78 VanDerWaalsContact O-N 3.15Å; S75-D78 PolarHBondContact OG-N 3Å; S75-D78 VanDerWaalsContact OG-N 3.1Å; D78-M80 PolarHBondContact O-N 3.04Å; D78-Q81 HydrophobicContact CB-CB 4.29Å; D78-Q81 HydrophobicContact CB-CG 3.96Å; D78-Q81 WeakPolarHBondContact O-CB 3.38Å; D78-Q81 PolarHBondContact O-N 2.79Å; D78-Q81 WeakPolarHBondContact OD1-CG 3.47Å; D78-Y103 VanDerWaalsContact OD2-CE2 3.31Å; D78-Y103 WeakPolarHBondContact OD2-CE2 3.36Å; D78-Y103 PolarHBondContact OD2-OH 3.18Å; D78-Y430 VanDerWaalsContact CG-CE2 3.44Å; D78-Y430 WeakPolarHBondContact OD1-CE2 3.45Å; D78-Y430 WeakPolarHBondContact OD2-CE2 3.49Å; D78-Y430 PolarHBondContact OD2-OH 3.46Å
79	K	91.2	Very high	94.6	Very high	115 Å²	115	51.5 Å²	51.5	50%	0.5	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.6	-178.8	68.5	-178	174.7	179.9	0	114.4	Y74 S75 E76 R84	Y74-K79 HydrophobicContact CE2-CB 4.45Å; S75-K79 PolarHBondContact O-N 2.83Å; E76-K79 WeakPolarHBondContact O-CG 3.13Å; K79-R84 PolarHBondContact O-NH1 3.44Å
80	M	88.9	Confident	94.5	Very high	128 Å²	128	46.7 Å²	46.7	63%	0.631	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	1.6	-179.8	-57.4	-48.7	-165.6	0	0	113.9	D78	D78-M80 PolarHBondContact O-N 3.04Å
81	Q	89.6	Confident	94.5	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.061	23%	0.232	C	C	.	.			trans	-78.2	150.1	-176.4	-68.3	-59.5	-20.4	0	0	112.8	D78 H83 R84	D78-Q81 HydrophobicContact CB-CB 4.29Å; D78-Q81 HydrophobicContact CB-CG 3.96Å; D78-Q81 WeakPolarHBondContact O-CB 3.38Å; D78-Q81 PolarHBondContact O-N 2.79Å; D78-Q81 WeakPolarHBondContact OD1-CG 3.47Å; Q81-H83 PolarHBondContact O-N 2.87Å; Q81-R84 WeakPolarHBondContact O-CB 3.43Å
82	M	91.3	Very high	94.4	Very high	47 Å²	47	51.9 Å²	51.9	23%	0.232	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-33.6	-171.3	-165.5	177.3	-66	0	0	113.1	I57 R84 Q85 K86 A418 F421	I57-M82 HydrophobicContact CD1-CB 4.18Å; I57-M82 HydrophobicContact CD1-CG 4.19Å; I57-M82 HydrophobicContact CD1-SD 4.44Å; M82-R84 PolarHBondContact O-N 2.87Å; M82-Q85 WeakPolarHBondContact O-CA 3.45Å; M82-Q85 PolarHBondContact O-N 3.25Å; M82-K86 HydrophobicContact CG-CD 4.45Å; M82-K86 HydrophobicContact CG-CG 4.02Å; M82-K86 WeakPolarHBondContact O-CG 3.28Å; M82-K86 PolarHBondContact O-N 3.42Å; M82-K86 VanDerWaalsContact O-N 3.17Å; M82-K86 VanDerWaalsContact SD-CE 3.55Å; M82-A418 WeakPolarHBondContact CB-O 3.33Å; M82-F421 HydrophobicContact CE-CB 4.14Å; M82-F421 HydrophobicContact CE-CD1 3.53Å; M82-F421 HydrophobicContact CE-CE1 4.14Å; M82-F421 HydrophobicContact CE-CG 3.97Å
83	H	94.3	Very high	94.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-36.4	-177.2	78.3	-80	0	0	0	112.3	A56 I57 F60 I73 Q81 Q85 K86	A56-H83 HydrophobicContact CB-CB 3.88Å; I57-H83 HydrophobicContact CD1-CB 4.34Å; I57-H83 HydrophobicContact CG1-CB 3.83Å; F60-H83 HydrophobicContact CE2-CB 4.47Å; F60-H83 VanDerWaalsContact CE2-O 3.31Å; F60-H83 WeakPolarHBondContact CE2-O 3.28Å; I73-H83 PolarHBondContact O-NE2 3.49Å; Q81-H83 PolarHBondContact O-N 2.87Å; H83-Q85 PolarHBondContact O-N 3.21Å; H83-K86 PolarHBondContact O-N 3.32Å
84	R	94.4	Very high	94	Very high	76 Å²	76	52.1 Å²	52.1	29%	0.287	25%	0.247	S	C	.	.	H	α-helix	trans	-54.7	-41	172.9	179.3	-170	166.7	-145.6	-7.4	112.1	Y74 K79 Q81 M82 S90	Y74-R84 HydrophobicContact CD1-CB 4.37Å; Y74-R84 HydrophobicContact CD1-CG 3.61Å; Y74-R84 HydrophobicContact CE1-CG 3.85Å; Y74-R84 HydrophobicContact CG-CB 4.48Å; Y74-R84 HydrophobicContact CG-CG 4.04Å; Y74-R84 VanDerWaalsContact CZ-NE 3.35Å; K79-R84 PolarHBondContact O-NH1 3.44Å; Q81-R84 WeakPolarHBondContact O-CB 3.43Å; M82-R84 PolarHBondContact O-N 2.87Å; R84-S90 WeakPolarHBondContact CG-OG 3.36Å; R84-S90 WeakPolarHBondContact O-CB 3.5Å
85	Q	93	Very high	93.6	Very high	133 Å²	133	57.4 Å²	57.4	62%	0.621	27%	0.271	S	S	*	.	H	α-helix	trans	-86.6	-10.9	-174.6	-56.3	178	14.8	0	0	113.3	M82 H83	M82-Q85 WeakPolarHBondContact O-CA 3.45Å; M82-Q85 PolarHBondContact O-N 3.25Å; H83-Q85 PolarHBondContact O-N 3.21Å
86	K	95	Very high	93.2	Very high	114 Å²	114	62.9 Å²	62.9	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-92.3	-8.4	-179.6	-66	-61.8	-179.9	-175	0	113.7	I57 F60 M82 H83	I57-K86 HydrophobicContact CD1-CG 4.04Å; I57-K86 HydrophobicContact CG1-CB 4.2Å; I57-K86 HydrophobicContact CG1-CG 4.04Å; I57-K86 HydrophobicContact CG2-CG 4.41Å; F60-K86 HydrophobicContact CD2-CB 4.16Å; M82-K86 HydrophobicContact CG-CD 4.45Å; M82-K86 HydrophobicContact CG-CG 4.02Å; M82-K86 WeakPolarHBondContact O-CG 3.28Å; M82-K86 PolarHBondContact O-N 3.42Å; M82-K86 VanDerWaalsContact O-N 3.17Å; M82-K86 VanDerWaalsContact SD-CE 3.55Å; H83-K86 PolarHBondContact O-N 3.32Å
87	A	96.6	Very high	93	Very high	14 Å²	14	61.9 Å²	61.9	12%	0.116	31%	0.307	C	S	.	.	S	Bend	trans	-93.2	157.1	170.9	0	0	0	0	0	111.5	F60 T70 A72 E89	F60-A87 HydrophobicContact CD1-CB 4.2Å; F60-A87 HydrophobicContact CD2-CB 4.14Å; F60-A87 HydrophobicContact CE1-CB 3.9Å; F60-A87 HydrophobicContact CE2-CB 3.89Å; F60-A87 HydrophobicContact CG-CB 4.32Å; F60-A87 HydrophobicContact CZ-CB 3.78Å; T70-A87 VanDerWaalsContact OG1-CA 3.25Å; T70-A87 WeakPolarHBondContact OG1-CA 3.4Å; A72-A87 HydrophobicContact CB-CB 3.62Å; A87-E89 VanDerWaalsContact C-N 3.29Å; A87-E89 WeakPolarHBondContact CB-O 3.46Å; A87-E89 PolarHBondContact O-N 3.06Å
88	D	97.5	Very high	92.8	Very high	98 Å²	98	61.8 Å²	61.8	52%	0.524	31%	0.311	S	S	.	.	S	Bend	trans	-66.8	-31.8	176.3	-59.6	-69.4	0	0	0	112.2	R69 T70	R69-D88 WeakPolarHBondContact CA-OD2 3.37Å; R69-D88 HydrophobicContact CG-CB 3.82Å; T70-D88 PolarHBondContact N-OD2 2.99Å; T70-D88 WeakPolarHBondContact O-CB 3.42Å; T70-D88 PolarHBondContact O-N 3.1Å; T70-D88 PolarHBondContact OG1-N 3.35Å; T70-D88 PolarHBondContact OG1-OD2 3.46Å
89	E	97.5	Very high	92.5	Very high	26 Å²	26	62.8 Å²	62.8	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.6	176.6	-67	167.6	-131	0	0	110	K46 R69 T70 V71 A72 A87 Y91	K46-E89 WeakPolarHBondContact CE-OE1 3.23Å; K46-E89 WeakPolarHBondContact CE-OE2 3.45Å; K46-E89 IonicContact NZ-OE1 3.03Å; K46-E89 PolarHBondContact NZ-OE1 3.5Å; K46-E89 IonicContact NZ-OE2 2.75Å; K46-E89 PolarHBondContact NZ-OE2 3.15Å; R69-E89 IonicContact CZ-OE1 3.87Å; R69-E89 IonicContact NE-OE1 3.29Å; R69-E89 PolarHBondContact NE-OE1 3.24Å; R69-E89 IonicContact NH1-OE1 2.81Å; R69-E89 IonicContact NH2-OE1 3.98Å; R69-E89 PolarHBondContact NH2-OE1 3.49Å; T70-E89 PolarHBondContact O-N 3.22Å; V71-E89 CarbonylContact C-O 3.57Å; V71-E89 WeakPolarHBondContact CA-O 3.48Å; V71-E89 HydrophobicContact CG1-CB 4.47Å; V71-E89 HydrophobicContact CG2-CB 4.29Å; A72-E89 PolarHBondContact N-O 3.04Å; A87-E89 VanDerWaalsContact C-N 3.29Å; A87-E89 WeakPolarHBondContact CB-O 3.46Å; A87-E89 PolarHBondContact O-N 3.06Å; E89-Y91 HydrophobicContact CB-CE2 4Å; E89-Y91 PolarHBondContact OE2-OH 3.27Å
90	S	97.4	Very high	92.3	Very high	35 Å²	35	60.2 Å²	60.2	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	141.2	175.2	65.8	0	0	0	0	112.7	A72 R84	A72-S90 CarbonylContact O-C 3.59Å; A72-S90 VanDerWaalsContact O-CA 3.27Å; A72-S90 WeakPolarHBondContact O-CA 3.43Å; R84-S90 WeakPolarHBondContact CG-OG 3.36Å; R84-S90 WeakPolarHBondContact O-CB 3.5Å
91	Y	97.5	Very high	92.3	Very high	56 Å²	56	55.8 Å²	55.8	22%	0.22	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137	-174.8	-60.3	-72.4	0	0	0	112.8	V71 A72 I73 Y74 E89 L112 H116	V71-Y91 HydrophobicContact CG1-CD2 3.58Å; V71-Y91 HydrophobicContact CG1-CE2 3.65Å; A72-Y91 PolarHBondContact O-N 3.19Å; I73-Y91 WeakPolarHBondContact CA-O 3.45Å; Y74-Y91 VanDerWaalsContact CD1-O 3.24Å; Y74-Y91 WeakPolarHBondContact CD1-O 3.23Å; Y74-Y91 PolarHBondContact N-O 3.21Å; E89-Y91 HydrophobicContact CB-CE2 4Å; E89-Y91 PolarHBondContact OE2-OH 3.27Å; Y91-L112 HydrophobicContact CD1-CD1 4.27Å; Y91-L112 HydrophobicContact CD2-CD1 4.17Å; Y91-L112 HydrophobicContact CD2-CD2 4.17Å; Y91-L112 HydrophobicContact CD2-CG 4.32Å; Y91-L112 HydrophobicContact CG-CD1 3.81Å; Y91-L112 HydrophobicContact CG-CD2 4.14Å; Y91-L112 HydrophobicContact CG-CG 4.35Å; Y91-H116 AromaticContact CD1-NE2 3.76Å; Y91-H116 AromaticContact CD2-CD2 3.98Å; Y91-H116 AromaticContact CE1-CD2 3.9Å; Y91-H116 AromaticContact CE1-CE1 3.43Å; Y91-H116 VanDerWaalsContact CE1-CE1 3.43Å; Y91-H116 WeakPolarHBondContact CE1-CE1 3.31Å; Y91-H116 AromaticContact CE1-NE2 3.34Å; Y91-H116 VanDerWaalsContact CE1-NE2 3.34Å; Y91-H116 WeakPolarHBondContact CE1-NE2 3.43Å; Y91-H116 HydrophobicContact CE2-CB 4.25Å; Y91-H116 AromaticContact CE2-CD2 3.56Å; Y91-H116 AromaticContact CE2-CG 3.71Å; Y91-H116 AromaticContact CE2-NE2 3.94Å; Y91-H116 AromaticContact CZ-CD2 3.53Å; Y91-H116 AromaticContact CZ-CE1 3.39Å; Y91-H116 AromaticContact CZ-CG 3.58Å; Y91-H116 AromaticContact CZ-ND1 3.5Å; Y91-H116 AromaticContact CZ-NE2 3.44Å; Y91-H116 PolarHBondContact OH-CE1 3.49Å; Y91-H116 VanDerWaalsContact OH-CE1 3.3Å; Y91-H116 PolarHBondContact OH-ND1 3.37Å; Y91-H116 VanDerWaalsContact OH-ND1 3.08Å
92	L	96.5	Very high	92.5	Very high	53 Å²	53	55.2 Å²	55.2	28%	0.277	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.7	173.9	177	62.3	0	0	0	109.9	Y74 S75 E76 K95	Y74-L92 HydrophobicContact CD2-CD1 4.17Å; Y74-L92 HydrophobicContact CE1-CB 4.47Å; Y74-L92 HydrophobicContact CE2-CB 4Å; Y74-L92 HydrophobicContact CE2-CD1 3.99Å; Y74-L92 CarbonylContact O-C 3.59Å; Y74-L92 WeakPolarHBondContact O-CA 3.33Å; Y74-L92 WeakPolarHBondContact O-CD1 3.47Å; S75-L92 VanDerWaalsContact C-CD1 3.48Å; E76-L92 HydrophobicContact CG-CD1 3.91Å; E76-L92 HydrophobicContact CG-CD2 4.35Å; L92-K95 HydrophobicContact CD2-CD 4.33Å; L92-K95 HydrophobicContact CD2-CG 3.86Å; L92-K95 HydrophobicContact CG-CG 4.17Å
93	I	96.2	Very high	92.6	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.282	C	S	.	.			trans	-119.5	159.3	174.4	60.6	171	0	0	0	110.9	I73 Y74 K95 A102 Y103 L112	I73-I93 HydrophobicContact CB-CD1 4Å; I73-I93 HydrophobicContact CB-CG1 4.4Å; I73-I93 HydrophobicContact CB-CG2 3.96Å; I73-I93 HydrophobicContact CD1-CD1 3.75Å; I73-I93 HydrophobicContact CG1-CD1 3.94Å; I73-I93 HydrophobicContact CG2-CG2 4.09Å; Y74-I93 WeakPolarHBondContact O-CG1 3.43Å; Y74-I93 PolarHBondContact O-N 3.23Å; I93-K95 PolarHBondContact O-N 2.78Å; I93-A102 HydrophobicContact CD1-CB 4.47Å; I93-A102 WeakPolarHBondContact CD1-O 3.46Å; I93-A102 HydrophobicContact CG1-CB 4.25Å; I93-Y103 HydrophobicContact CD1-CD1 3.92Å; I93-Y103 HydrophobicContact CD1-CE1 4.31Å; I93-Y103 HydrophobicContact CD1-CG 4.3Å; I93-L112 HydrophobicContact CG2-CD2 4.03Å
94	G	91.1	Very high	92.6	Very high	3 Å²	3	56.2 Å²	56.2	3%	0.031	30%	0.299	C	S	.	.			trans	61.8	40.3	169	0	0	0	0	0	113.6	S96 L97 E108	G94-S96 PolarHBondContact O-N 2.86Å; G94-L97 VanDerWaalsContact O-CB 3.31Å; G94-L97 WeakPolarHBondContact O-CB 3.42Å; G94-L97 PolarHBondContact O-N 3.46Å; G94-E108 WeakPolarHBondContact CA-OE2 3.42Å; G94-E108 VanDerWaalsContact N-CD 3.28Å; G94-E108 PolarHBondContact N-OE1 2.87Å; G94-E108 VanDerWaalsContact N-OE1 3.08Å; G94-E108 PolarHBondContact N-OE2 3.45Å
95	K	89.4	Confident	92.6	Very high	141 Å²	141	54.7 Å²	54.7	61%	0.613	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	129.5	172.3	-73.3	-177.3	177.9	178.7	0	109.7	L92 I93 L97	L92-K95 HydrophobicContact CD2-CD 4.33Å; L92-K95 HydrophobicContact CD2-CG 3.86Å; L92-K95 HydrophobicContact CG-CG 4.17Å; I93-K95 PolarHBondContact O-N 2.78Å; K95-L97 PolarHBondContact O-N 3.41Å; K95-L97 VanDerWaalsContact O-N 3.15Å
96	S	86	Confident	92.8	Very high	115 Å²	115	50 Å²	50	80%	0.804	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	3.3	-175.3	-46.7	0	0	0	0	116.5	G94	G94-S96 PolarHBondContact O-N 2.86Å
97	L	87.9	Confident	92.8	Very high	68 Å²	68	48.5 Å²	48.5	36%	0.356	28%	0.277	S	S	.	.	S	Bend	trans	-85.7	152.8	171.8	-63.6	-177.4	0	0	0	110.9	G94 K95 A101 N105	G94-L97 VanDerWaalsContact O-CB 3.31Å; G94-L97 WeakPolarHBondContact O-CB 3.42Å; G94-L97 PolarHBondContact O-N 3.46Å; K95-L97 PolarHBondContact O-N 3.41Å; K95-L97 VanDerWaalsContact O-N 3.15Å; L97-A101 HydrophobicContact CB-CB 4.36Å; L97-N105 HydrophobicContact CD1-CB 4.42Å
98	P	85.8	Confident	92.8	Very high	60 Å²	60	50.4 Å²	50.4	39%	0.39	28%	0.283	S	S	.	.			trans	-54.8	148.7	168	-25.4	34.2	0	0	0	111.9	V100 A101 A102	P98-V100 VanDerWaalsContact C-N 3.32Å; P98-V100 PolarHBondContact O-N 3.45Å; P98-V100 VanDerWaalsContact O-N 3.1Å; P98-A101 HydrophobicContact CB-CB 4.25Å; P98-A101 HydrophobicContact CG-CB 4.48Å; P98-A101 WeakPolarHBondContact O-CB 3.48Å; P98-A101 PolarHBondContact O-N 2.65Å; P98-A102 PolarHBondContact O-N 3.15Å; P98-A102 VanDerWaalsContact O-N 3.15Å
99	P	85.8	Confident	92.8	Very high	21 Å²	21	45.7 Å²	45.7	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-54.6	-39.3	-167.4	-25.1	30	0	0	0	115.4	Q77 Y429 Y430	Q77-P99 HydrophobicContact CG-CB 4.33Å; Q77-P99 HydrophobicContact CG-CG 3.9Å; P99-Y429 HydrophobicContact CB-CG 4.28Å; P99-Y429 HydrophobicContact CG-CD1 3.83Å; P99-Y429 HydrophobicContact CG-CD2 4.33Å; P99-Y429 HydrophobicContact CG-CE1 4.45Å; P99-Y429 HydrophobicContact CG-CG 3.77Å; P99-Y430 HydrophobicContact CB-CE1 4.04Å; P99-Y430 HydrophobicContact CB-CE2 4.42Å; P99-Y430 VanDerWaalsContact CB-OH 3.28Å; P99-Y430 WeakPolarHBondContact CB-OH 3.48Å; P99-Y430 PolarHBondContact O-OH 3.1Å
100	V	87.5	Confident	92.9	Very high	62 Å²	62	45.3 Å²	45.3	38%	0.376	26%	0.257	S	S	.	.	H	α-helix	trans	-77.8	-36.1	177.8	177.8	0	0	0	0	111.7	P98 A102 Y103 L104 F127	P98-V100 VanDerWaalsContact C-N 3.32Å; P98-V100 PolarHBondContact O-N 3.45Å; P98-V100 VanDerWaalsContact O-N 3.1Å; V100-A102 PolarHBondContact O-N 3Å; V100-Y103 PolarHBondContact O-N 2.98Å; V100-L104 HydrophobicContact CG1-CD1 4.08Å; V100-L104 WeakPolarHBondContact O-CG 3.23Å; V100-L104 PolarHBondContact O-N 3.29Å; V100-F127 HydrophobicContact CG1-CE1 4.25Å
101	A	88	Confident	92.8	Very high	34 Å²	34	49.4 Å²	49.4	28%	0.281	27%	0.272	S	S	.	.	H	α-helix	trans	-65.2	-30.7	-179.4	0	0	0	0	0	111.8	L97 P98 Y103 L104 N105	L97-A101 HydrophobicContact CB-CB 4.36Å; P98-A101 HydrophobicContact CB-CB 4.25Å; P98-A101 HydrophobicContact CG-CB 4.48Å; P98-A101 WeakPolarHBondContact O-CB 3.48Å; P98-A101 PolarHBondContact O-N 2.65Å; A101-Y103 VanDerWaalsContact C-N 3.35Å; A101-Y103 PolarHBondContact O-N 3.31Å; A101-L104 PolarHBondContact O-N 3.27Å; A101-L104 VanDerWaalsContact O-N 3.11Å; A101-N105 PolarHBondContact O-N 2.98Å
102	A	93.6	Very high	92.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-54.9	-48	173.2	0	0	0	0	0	112.1	I93 P98 V100 L104 N105	I93-A102 HydrophobicContact CD1-CB 4.47Å; I93-A102 WeakPolarHBondContact CD1-O 3.46Å; I93-A102 HydrophobicContact CG1-CB 4.25Å; P98-A102 PolarHBondContact O-N 3.15Å; P98-A102 VanDerWaalsContact O-N 3.15Å; V100-A102 PolarHBondContact O-N 3Å; A102-L104 PolarHBondContact O-N 2.85Å; A102-N105 WeakPolarHBondContact O-CB 3.36Å; A102-N105 PolarHBondContact O-N 3.43Å
103	Y	94.8	Very high	92.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-74.5	-10	178.6	-71.5	-77.2	0	0	0	114.4	R52 I73 Y74 D78 I93 V100 A101 F127 Y430	R52-Y103 HydrophobicContact CB-CE1 3.88Å; R52-Y103 HydrophobicContact CB-CE2 4.33Å; R52-Y103 WeakPolarHBondContact CB-OH 3.41Å; I73-Y103 HydrophobicContact CD1-CD1 4.3Å; I73-Y103 HydrophobicContact CG1-CD1 4.19Å; I73-Y103 HydrophobicContact CG1-CE1 4.08Å; Y74-Y103 WeakPolarHBondContact CA-OH 3.44Å; D78-Y103 VanDerWaalsContact OD2-CE2 3.31Å; D78-Y103 WeakPolarHBondContact OD2-CE2 3.36Å; D78-Y103 PolarHBondContact OD2-OH 3.18Å; I93-Y103 HydrophobicContact CD1-CD1 3.92Å; I93-Y103 HydrophobicContact CD1-CE1 4.31Å; I93-Y103 HydrophobicContact CD1-CG 4.3Å; V100-Y103 PolarHBondContact O-N 2.98Å; A101-Y103 VanDerWaalsContact C-N 3.35Å; A101-Y103 PolarHBondContact O-N 3.31Å; Y103-F127 VanDerWaalsContact CB-CE1 3.48Å; Y103-F127 HydrophobicContact CD2-CE1 4.06Å; Y103-F127 HydrophobicContact CD2-CZ 4.27Å; Y103-F127 HydrophobicContact CG-CD1 4.28Å; Y103-F127 AromaticContact CG-CE1 3.96Å; Y103-F127 HydrophobicContact CG-CE1 3.96Å; Y103-F127 HydrophobicContact CG-CZ 4.3Å; Y103-Y430 HydrophobicContact CD2-CE1 4.15Å; Y103-Y430 AromaticContact CE2-CE1 3.92Å; Y103-Y430 HydrophobicContact CE2-CE1 3.92Å
104	L	93.9	Very high	92.9	Very high	70 Å²	70	49.4 Å²	49.4	37%	0.366	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	1.4	176.4	-62.1	176.1	0	0	0	112.5	V100 A101 A102 I106 F127 L128	V100-L104 HydrophobicContact CG1-CD1 4.08Å; V100-L104 WeakPolarHBondContact O-CG 3.23Å; V100-L104 PolarHBondContact O-N 3.29Å; A101-L104 PolarHBondContact O-N 3.27Å; A101-L104 VanDerWaalsContact O-N 3.11Å; A102-L104 PolarHBondContact O-N 2.85Å; L104-I106 PolarHBondContact O-N 2.71Å; L104-F127 HydrophobicContact CD2-CB 4.14Å; L104-F127 HydrophobicContact CD2-CD1 4.14Å; L104-F127 HydrophobicContact CG-CD1 4.48Å; L104-L128 HydrophobicContact CD2-CD2 3.99Å; L104-L128 HydrophobicContact CD2-CG 4.33Å
105	N	93.9	Very high	93.1	Very high	43 Å²	43	57.6 Å²	57.6	23%	0.23	31%	0.306	C	S	.	.			trans	-80.5	79.8	-175.3	-167.7	-5.4	0	0	0	112.3	L97 A101 A102 P107 E108 I109	L97-N105 HydrophobicContact CD1-CB 4.42Å; A101-N105 PolarHBondContact O-N 2.98Å; A102-N105 WeakPolarHBondContact O-CB 3.36Å; A102-N105 PolarHBondContact O-N 3.43Å; N105-P107 WeakPolarHBondContact OD1-CD 3.28Å; N105-E108 HydrophobicContact CB-CB 4.19Å; N105-E108 VanDerWaalsContact CG-CB 3.49Å; N105-E108 VanDerWaalsContact ND2-CB 3.33Å; N105-E108 WeakPolarHBondContact ND2-CB 3.49Å; N105-E108 PolarHBondContact ND2-OE2 3.42Å; N105-E108 PolarHBondContact O-N 3.12Å; N105-I109 WeakPolarHBondContact O-CG1 3.07Å; N105-I109 PolarHBondContact O-N 3.01Å
106	I	96.3	Very high	93.5	Very high	34 Å²	34	52.7 Å²	52.7	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-51	-52.6	-179.4	-65.9	169.1	0	0	0	112.6	L104 E108 I109 I110 L128 E133 F134 A137	L104-I106 PolarHBondContact O-N 2.71Å; I106-E108 VanDerWaalsContact C-N 3.33Å; I106-E108 PolarHBondContact O-N 2.96Å; I106-I109 PolarHBondContact O-N 3.32Å; I106-I110 HydrophobicContact CG2-CG1 4.18Å; I106-I110 WeakPolarHBondContact O-CG1 3.2Å; I106-I110 PolarHBondContact O-N 3.19Å; I106-L128 HydrophobicContact CD1-CD2 3.98Å; I106-L128 HydrophobicContact CG1-CD1 3.86Å; I106-L128 HydrophobicContact CG1-CD2 3.67Å; I106-L128 HydrophobicContact CG1-CG 4.41Å; I106-E133 HydrophobicContact CD1-CB 4.31Å; I106-F134 HydrophobicContact CB-CD2 4.31Å; I106-F134 HydrophobicContact CD1-CB 3.9Å; I106-F134 HydrophobicContact CG1-CB 4.1Å; I106-F134 HydrophobicContact CG1-CD2 3.84Å; I106-F134 HydrophobicContact CG1-CG 4.32Å; I106-F134 HydrophobicContact CG2-CD2 3.93Å; I106-A137 HydrophobicContact CG2-CB 3.9Å
107	P	96.3	Very high	94	Very high	84 Å²	84	53.6 Å²	53.6	55%	0.545	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-42.4	-178.2	-26.4	34.6	0	0	0	113.7	N105 Q111	N105-P107 WeakPolarHBondContact OD1-CD 3.28Å; P107-Q111 WeakPolarHBondContact O-CB 3.36Å; P107-Q111 VanDerWaalsContact O-CG 3.24Å; P107-Q111 WeakPolarHBondContact O-CG 3.44Å; P107-Q111 PolarHBondContact O-N 2.97Å
108	E	96.9	Very high	94.4	Very high	53 Å²	53	50.7 Å²	50.7	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-41.8	-179.9	-173.8	177.6	-167.3	0	0	111.6	G94 N105 I106 Q111 L112	G94-E108 WeakPolarHBondContact CA-OE2 3.42Å; G94-E108 VanDerWaalsContact N-CD 3.28Å; G94-E108 PolarHBondContact N-OE1 2.87Å; G94-E108 VanDerWaalsContact N-OE1 3.08Å; G94-E108 PolarHBondContact N-OE2 3.45Å; N105-E108 HydrophobicContact CB-CB 4.19Å; N105-E108 VanDerWaalsContact CG-CB 3.49Å; N105-E108 VanDerWaalsContact ND2-CB 3.33Å; N105-E108 WeakPolarHBondContact ND2-CB 3.49Å; N105-E108 PolarHBondContact ND2-OE2 3.42Å; N105-E108 PolarHBondContact O-N 3.12Å; I106-E108 VanDerWaalsContact C-N 3.33Å; I106-E108 PolarHBondContact O-N 2.96Å; E108-Q111 PolarHBondContact O-N 3.29Å; E108-L112 VanDerWaalsContact O-CB 3.23Å; E108-L112 WeakPolarHBondContact O-CB 3.29Å; E108-L112 PolarHBondContact O-N 3.45Å
109	I	97.5	Very high	95	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-45.6	178.4	-67.7	168.1	0	0	0	110.9	M48 A50 I73 N105 I106 L112 A113 L128 F134	M48-I109 HydrophobicContact SD-CG2 4.07Å; A50-I109 HydrophobicContact CB-CG2 4.36Å; I73-I109 HydrophobicContact CD1-CD1 3.83Å; I73-I109 HydrophobicContact CD1-CG1 3.94Å; N105-I109 WeakPolarHBondContact O-CG1 3.07Å; N105-I109 PolarHBondContact O-N 3.01Å; I106-I109 PolarHBondContact O-N 3.32Å; I109-L112 PolarHBondContact O-N 3.44Å; I109-A113 WeakPolarHBondContact O-CB 3.36Å; I109-A113 PolarHBondContact O-N 3.32Å; I109-L128 HydrophobicContact CD1-CD1 3.62Å; I109-F134 HydrophobicContact CB-CE2 4.46Å; I109-F134 HydrophobicContact CG2-CE2 3.91Å; I109-F134 HydrophobicContact CG2-CZ 3.95Å
110	I	98	Very high	95.6	Very high	18 Å²	18	48.6 Å²	48.6	9%	0.092	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-45.1	178.3	-63.3	-64.4	0	0	0	111.1	I106 L112 A113 L114 I121 F134 A137 C138 A141	I106-I110 HydrophobicContact CG2-CG1 4.18Å; I106-I110 WeakPolarHBondContact O-CG1 3.2Å; I106-I110 PolarHBondContact O-N 3.19Å; I110-L112 VanDerWaalsContact C-N 3.29Å; I110-L112 PolarHBondContact O-N 2.82Å; I110-A113 PolarHBondContact O-N 3.06Å; I110-L114 HydrophobicContact CG2-CD1 4.19Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.28Å; I110-I121 HydrophobicContact CD1-CD1 4.19Å; I110-F134 HydrophobicContact CD1-CD2 4.39Å; I110-F134 HydrophobicContact CD1-CE2 3.95Å; I110-F134 HydrophobicContact CG1-CE2 4.39Å; I110-A137 HydrophobicContact CD1-CB 4.19Å; I110-A137 HydrophobicContact CG1-CB 4.01Å; I110-C138 HydrophobicContact CD1-CB 4.48Å; I110-A141 HydrophobicContact CG2-CB 3.72Å
111	Q	96.8	Very high	96.1	Very high	121 Å²	121	45.7 Å²	45.7	57%	0.565	23%	0.231	S	C	*	.	H	α-helix	trans	-61.1	-39.3	176.5	-77	-178.6	10.1	0	0	112.4	P107 E108 R115	P107-Q111 WeakPolarHBondContact O-CB 3.36Å; P107-Q111 VanDerWaalsContact O-CG 3.24Å; P107-Q111 WeakPolarHBondContact O-CG 3.44Å; P107-Q111 PolarHBondContact O-N 2.97Å; E108-Q111 PolarHBondContact O-N 3.29Å; Q111-R115 WeakPolarHBondContact O-CB 3.33Å; Q111-R115 PolarHBondContact O-N 3.13Å
112	L	96.9	Very high	96.6	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.084	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-43.3	176.7	-176.9	73.3	0	0	0	111.3	M48 I73 Y91 I93 E108 I109 I110 R115 H116	M48-L112 HydrophobicContact CE-CB 4.32Å; M48-L112 HydrophobicContact CE-CD2 3.76Å; M48-L112 HydrophobicContact CE-CG 3.9Å; I73-L112 HydrophobicContact CG2-CD2 3.69Å; Y91-L112 HydrophobicContact CD1-CD1 4.27Å; Y91-L112 HydrophobicContact CD2-CD1 4.17Å; Y91-L112 HydrophobicContact CD2-CD2 4.17Å; Y91-L112 HydrophobicContact CD2-CG 4.32Å; Y91-L112 HydrophobicContact CG-CD1 3.81Å; Y91-L112 HydrophobicContact CG-CD2 4.14Å; Y91-L112 HydrophobicContact CG-CG 4.35Å; I93-L112 HydrophobicContact CG2-CD2 4.03Å; E108-L112 VanDerWaalsContact O-CB 3.23Å; E108-L112 WeakPolarHBondContact O-CB 3.29Å; E108-L112 PolarHBondContact O-N 3.45Å; I109-L112 PolarHBondContact O-N 3.44Å; I110-L112 VanDerWaalsContact C-N 3.29Å; I110-L112 PolarHBondContact O-N 2.82Å; L112-R115 PolarHBondContact O-N 3.47Å; L112-H116 VanDerWaalsContact CD1-CD2 3.49Å; L112-H116 WeakPolarHBondContact CD1-CD2 3.46Å; L112-H116 PolarHBondContact O-CD2 3.11Å; L112-H116 VanDerWaalsContact O-CD2 3.27Å; L112-H116 PolarHBondContact O-N 2.83Å
113	A	97.3	Very high	96.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-45.2	177	0	0	0	0	0	111.8	M48 I109 I110 H116 D117 V118 I121 I143	M48-A113 HydrophobicContact CE-CB 3.91Å; M48-A113 HydrophobicContact SD-CB 4.23Å; I109-A113 WeakPolarHBondContact O-CB 3.36Å; I109-A113 PolarHBondContact O-N 3.32Å; I110-A113 PolarHBondContact O-N 3.06Å; A113-H116 PolarHBondContact O-N 3.05Å; A113-D117 PolarHBondContact O-N 2.81Å; A113-V118 HydrophobicContact CB-CB 3.93Å; A113-V118 HydrophobicContact CB-CG1 4.22Å; A113-V118 HydrophobicContact CB-CG2 4.48Å; A113-V118 WeakPolarHBondContact O-CB 3.4Å; A113-V118 PolarHBondContact O-N 2.89Å; A113-I121 HydrophobicContact CB-CD1 3.9Å; A113-I121 HydrophobicContact CB-CG1 4.49Å; A113-I143 HydrophobicContact CB-CD1 3.63Å
114	L	96.9	Very high	96.8	Very high	94 Å²	94	44.3 Å²	44.3	49%	0.492	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-42.7	174.3	-71.5	171.9	0	0	0	112.5	I110 H116 D117 A141 I143	I110-L114 HydrophobicContact CG2-CD1 4.19Å; I110-L114 WeakPolarHBondContact O-CG 3.4Å; I110-L114 PolarHBondContact O-N 3.28Å; L114-H116 PolarHBondContact O-N 3.28Å; L114-D117 PolarHBondContact O-N 2.73Å; L114-A141 HydrophobicContact CD1-CB 4.32Å; L114-A141 HydrophobicContact CD2-CB 4.24Å; L114-A141 HydrophobicContact CG-CB 4.45Å; L114-I143 HydrophobicContact CD2-CD1 4.27Å; L114-I143 HydrophobicContact CG-CD1 4.29Å
115	R	96.8	Very high	96.8	Very high	174 Å²	174	42.3 Å²	42.3	66%	0.657	21%	0.207	S	C	*	.	H	α-helix	trans	-63	-27.9	-179.8	-177.4	179.9	-64.1	162.2	3.9	113.2	Q111 L112	Q111-R115 WeakPolarHBondContact O-CB 3.33Å; Q111-R115 PolarHBondContact O-N 3.13Å; L112-R115 PolarHBondContact O-N 3.47Å
116	H	96.6	Very high	96.6	Very high	39 Å²	39	41.9 Å²	41.9	18%	0.181	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	22.1	-173.8	-66	-63	0	0	0	113.4	K46 Y91 L112 A113 L114 V118	K46-H116 WeakPolarHBondContact CD-O 3.42Å; K46-H116 WeakPolarHBondContact CE-O 3.48Å; K46-H116 PolarHBondContact NZ-O 3.12Å; Y91-H116 AromaticContact CD1-NE2 3.76Å; Y91-H116 AromaticContact CD2-CD2 3.98Å; Y91-H116 AromaticContact CE1-CD2 3.9Å; Y91-H116 AromaticContact CE1-CE1 3.43Å; Y91-H116 VanDerWaalsContact CE1-CE1 3.43Å; Y91-H116 WeakPolarHBondContact CE1-CE1 3.31Å; Y91-H116 AromaticContact CE1-NE2 3.34Å; Y91-H116 VanDerWaalsContact CE1-NE2 3.34Å; Y91-H116 WeakPolarHBondContact CE1-NE2 3.43Å; Y91-H116 HydrophobicContact CE2-CB 4.25Å; Y91-H116 AromaticContact CE2-CD2 3.56Å; Y91-H116 AromaticContact CE2-CG 3.71Å; Y91-H116 AromaticContact CE2-NE2 3.94Å; Y91-H116 AromaticContact CZ-CD2 3.53Å; Y91-H116 AromaticContact CZ-CE1 3.39Å; Y91-H116 AromaticContact CZ-CG 3.58Å; Y91-H116 AromaticContact CZ-ND1 3.5Å; Y91-H116 AromaticContact CZ-NE2 3.44Å; Y91-H116 PolarHBondContact OH-CE1 3.49Å; Y91-H116 VanDerWaalsContact OH-CE1 3.3Å; Y91-H116 PolarHBondContact OH-ND1 3.37Å; Y91-H116 VanDerWaalsContact OH-ND1 3.08Å; L112-H116 VanDerWaalsContact CD1-CD2 3.49Å; L112-H116 WeakPolarHBondContact CD1-CD2 3.46Å; L112-H116 PolarHBondContact O-CD2 3.11Å; L112-H116 VanDerWaalsContact O-CD2 3.27Å; L112-H116 PolarHBondContact O-N 2.83Å; A113-H116 PolarHBondContact O-N 3.05Å; L114-H116 PolarHBondContact O-N 3.28Å; H116-V118 PolarHBondContact O-N 2.88Å
117	D	96.3	Very high	96.4	Very high	133 Å²	133	43 Å²	43	71%	0.711	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.3	175.4	-53.2	-56.1	0	0	0	113	A113 L114	A113-D117 PolarHBondContact O-N 2.81Å; L114-D117 PolarHBondContact O-N 2.73Å
118	V	97.3	Very high	96.3	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.048	19%	0.192	C	C	.	.			trans	-76.1	125.4	176.5	170.3	0	0	0	0	109.2	K46 M48 V71 A113 H116 A120 I121	K46-V118 HydrophobicContact CD-CG2 4.48Å; K46-V118 HydrophobicContact CG-CG2 4.47Å; M48-V118 HydrophobicContact CB-CB 4.44Å; M48-V118 HydrophobicContact CB-CG1 3.58Å; M48-V118 HydrophobicContact CB-CG2 4.1Å; M48-V118 HydrophobicContact CE-CG2 4.17Å; V71-V118 HydrophobicContact CB-CG2 4.4Å; V71-V118 HydrophobicContact CG2-CG2 3.85Å; A113-V118 HydrophobicContact CB-CB 3.93Å; A113-V118 HydrophobicContact CB-CG1 4.22Å; A113-V118 HydrophobicContact CB-CG2 4.48Å; A113-V118 WeakPolarHBondContact O-CB 3.4Å; A113-V118 PolarHBondContact O-N 2.89Å; H116-V118 PolarHBondContact O-N 2.88Å; V118-A120 WeakPolarHBondContact CG1-O 3.3Å; V118-I121 HydrophobicContact CG1-CG1 4.24Å
119	E	97.5	Very high	96.1	Very high	37 Å²	37	36.8 Å²	36.8	17%	0.173	18%	0.181	C	C	.	.			trans	-92.2	-24.4	-176.9	-58.8	-172.7	127.2	0	0	112.8	R42 K45 K46 I144	R42-E119 IonicContact CZ-OE1 3.66Å; R42-E119 IonicContact NE-OE1 3.67Å; R42-E119 IonicContact NH2-OE1 3.35Å; R42-E119 PolarHBondContact NH2-OE1 3.25Å; K45-E119 WeakPolarHBondContact CB-OE2 3.42Å; K45-E119 PolarHBondContact N-OE2 3.3Å; K46-E119 PolarHBondContact O-N 2.99Å; E119-I144 PolarHBondContact O-N 3.18Å
120	A	98	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.9	-179.7	0	0	0	0	0	112.4	I44 K46 L47 M48 V118 I144 I146	I44-A120 HydrophobicContact CD1-CB 3.74Å; I44-A120 HydrophobicContact CG1-CB 4.09Å; I44-A120 HydrophobicContact CG2-CB 3.86Å; K46-A120 PolarHBondContact O-N 3.34Å; L47-A120 CarbonylContact C-O 3.5Å; L47-A120 VanDerWaalsContact CA-O 3.3Å; L47-A120 WeakPolarHBondContact CA-O 3.1Å; L47-A120 HydrophobicContact CG-CB 4.36Å; M48-A120 PolarHBondContact N-O 3.01Å; V118-A120 WeakPolarHBondContact CG1-O 3.3Å; A120-I144 CarbonylContact C-O 3.57Å; A120-I144 WeakPolarHBondContact CA-O 3.28Å; A120-I144 HydrophobicContact CB-CB 3.91Å; A120-I144 HydrophobicContact CB-CG2 4.43Å; A120-I144 WeakPolarHBondContact CB-O 3.45Å; A120-I146 HydrophobicContact CB-CD1 3.95Å; A120-I146 HydrophobicContact CB-CG1 4.28Å
121	I	98.4	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.9	172.2	-68.3	166	0	0	0	109.5	M48 A50 I110 A113 V118 F134 I143 I144 I146	M48-I121 HydrophobicContact CB-CG1 4.14Å; M48-I121 CarbonylContact O-C 3.48Å; M48-I121 VanDerWaalsContact O-CA 3.26Å; M48-I121 WeakPolarHBondContact O-CA 3.48Å; A50-I121 HydrophobicContact CB-CG2 3.75Å; I110-I121 HydrophobicContact CD1-CD1 4.19Å; A113-I121 HydrophobicContact CB-CD1 3.9Å; A113-I121 HydrophobicContact CB-CG1 4.49Å; V118-I121 HydrophobicContact CG1-CG1 4.24Å; I121-F134 HydrophobicContact CD1-CZ 4.36Å; I121-F134 HydrophobicContact CG2-CE1 3.97Å; I121-F134 HydrophobicContact CG2-CZ 3.81Å; I121-I143 HydrophobicContact CB-CG2 4.36Å; I121-I143 HydrophobicContact CD1-CD1 4.32Å; I121-I143 HydrophobicContact CD1-CG2 3.86Å; I121-I143 HydrophobicContact CG1-CG2 3.79Å; I121-I144 PolarHBondContact N-O 3.29Å; I121-I146 PolarHBondContact O-N 3.34Å
122	H	98.4	Very high	95	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.9	167.2	-162.2	-32.3	0	0	0	109.6	L47 M48 V49 A50 I59 G124 I146 Q356	L47-H122 HydrophobicContact CD2-CB 4Å; M48-H122 PolarHBondContact O-N 3.24Å; V49-H122 WeakPolarHBondContact CA-O 3.49Å; V49-H122 HydrophobicContact CG2-CB 4.5Å; A50-H122 PolarHBondContact N-O 3.01Å; I59-H122 HydrophobicContact CD1-CB 4.11Å; I59-H122 HydrophobicContact CG2-CB 4.05Å; H122-G124 VanDerWaalsContact C-N 3.33Å; H122-G124 PolarHBondContact ND1-N 3.37Å; H122-G124 PolarHBondContact O-N 3.2Å; H122-I146 HydrophobicContact CB-CB 4.22Å; H122-I146 HydrophobicContact CB-CD1 4.11Å; H122-Q356 PolarHBondContact NE2-OE1 2.79Å
123	P	97.4	Very high	94.8	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.026	22%	0.22	C	C	.	.			trans	-85.2	-2.1	-175.1	35.8	-40.7	0	0	0	114.4	N51 Y125 F134 F145 I146	N51-P123 PolarHBondContact ND2-O 3.31Å; P123-Y125 PolarHBondContact O-N 3.35Å; P123-F134 HydrophobicContact CB-CE1 4.31Å; P123-F145 HydrophobicContact CB-CE2 4.03Å; P123-F145 HydrophobicContact CB-CZ 4.39Å; P123-F145 HydrophobicContact CG-CE2 3.71Å; P123-F145 HydrophobicContact CG-CZ 3.73Å; P123-I146 VanDerWaalsContact CD-O 3.3Å; P123-I146 WeakPolarHBondContact CD-O 3.32Å
124	G	96.5	Very high	94.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	22%	0.22	C	C	.	.			trans	56.3	-131.2	-169.4	0	0	0	0	0	112.4	H122 S129	H122-G124 VanDerWaalsContact C-N 3.33Å; H122-G124 PolarHBondContact ND1-N 3.37Å; H122-G124 PolarHBondContact O-N 3.2Å; G124-S129 WeakPolarHBondContact O-CB 3.16Å
125	Y	93.6	Very high	94.7	Very high	28 Å²	28	41.6 Å²	41.6	11%	0.11	20%	0.197	C	C	.	.	S	Bend	trans	-131.4	157.8	173.3	59.3	-112.6	0	0	0	111.2	N51 E54 I55 P123 S129 L337 V339	N51-Y125 PolarHBondContact ND2-N 2.92Å; N51-Y125 PolarHBondContact ND2-O 2.92Å; E54-Y125 VanDerWaalsContact CD-OH 3.31Å; E54-Y125 WeakPolarHBondContact CG-OH 3.39Å; E54-Y125 VanDerWaalsContact OE1-CE1 3.31Å; E54-Y125 WeakPolarHBondContact OE1-CE1 3.5Å; E54-Y125 PolarHBondContact OE1-OH 3.43Å; I55-Y125 HydrophobicContact CB-CD1 3.96Å; I55-Y125 HydrophobicContact CB-CE1 3.37Å; I55-Y125 HydrophobicContact CD1-CD1 3.92Å; I55-Y125 HydrophobicContact CD1-CE1 3.85Å; I55-Y125 HydrophobicContact CG1-CD1 3.66Å; I55-Y125 HydrophobicContact CG1-CE1 3.58Å; I55-Y125 HydrophobicContact CG1-CG 4.48Å; I55-Y125 HydrophobicContact CG2-CD1 4.4Å; I55-Y125 HydrophobicContact CG2-CE1 3.94Å; I55-Y125 HydrophobicContact CG2-CE2 4.23Å; P123-Y125 PolarHBondContact O-N 3.35Å; Y125-S129 VanDerWaalsContact C-OG 3.32Å; Y125-S129 WeakPolarHBondContact CA-OG 3.11Å; Y125-L337 VanDerWaalsContact CB-O 3.3Å; Y125-L337 WeakPolarHBondContact CB-O 3.34Å; Y125-V339 HydrophobicContact CD1-CG2 4.08Å; Y125-V339 HydrophobicContact CD2-CG2 3.87Å; Y125-V339 HydrophobicContact CE1-CB 4.26Å; Y125-V339 HydrophobicContact CE1-CG2 3.83Å; Y125-V339 HydrophobicContact CE2-CG2 3.67Å; Y125-V339 HydrophobicContact CG-CG2 4.13Å
126	G	88.9	Confident	94.7	Very high	35 Å²	35	37.5 Å²	37.5	36%	0.361	19%	0.186	S	C	.	.	S	Bend	trans	65	-168	-169.8	0	0	0	0	0	112.5	L128 S129	G126-L128 PolarHBondContact O-N 3.48Å; G126-S129 PolarHBondContact N-OG 3.18Å; G126-S129 WeakPolarHBondContact O-CB 3.25Å; G126-S129 PolarHBondContact O-N 2.93Å; G126-S129 PolarHBondContact O-OG 2.79Å
127	F	92.4	Very high	94.7	Very high	58 Å²	58	36.7 Å²	36.7	25%	0.254	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	-108.6	-176.8	-62.2	-77.6	0	0	0	113.8	R52 V100 Y103 L104	R52-F127 HydrophobicContact CG-CE2 3.86Å; R52-F127 HydrophobicContact CG-CZ 4.08Å; V100-F127 HydrophobicContact CG1-CE1 4.25Å; Y103-F127 VanDerWaalsContact CB-CE1 3.48Å; Y103-F127 HydrophobicContact CD2-CE1 4.06Å; Y103-F127 HydrophobicContact CD2-CZ 4.27Å; Y103-F127 HydrophobicContact CG-CD1 4.28Å; Y103-F127 AromaticContact CG-CE1 3.96Å; Y103-F127 HydrophobicContact CG-CE1 3.96Å; Y103-F127 HydrophobicContact CG-CZ 4.3Å; L104-F127 HydrophobicContact CD2-CB 4.14Å; L104-F127 HydrophobicContact CD2-CD1 4.14Å; L104-F127 HydrophobicContact CG-CD1 4.48Å
128	L	93.4	Very high	94.8	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	1.2	-175	-62.6	176.2	0	0	0	113.7	L104 I106 I109 G126 E130 R131 F134	L104-L128 HydrophobicContact CD2-CD2 3.99Å; L104-L128 HydrophobicContact CD2-CG 4.33Å; I106-L128 HydrophobicContact CD1-CD2 3.98Å; I106-L128 HydrophobicContact CG1-CD1 3.86Å; I106-L128 HydrophobicContact CG1-CD2 3.67Å; I106-L128 HydrophobicContact CG1-CG 4.41Å; I109-L128 HydrophobicContact CD1-CD1 3.62Å; G126-L128 PolarHBondContact O-N 3.48Å; L128-E130 VanDerWaalsContact C-N 3.25Å; L128-E130 PolarHBondContact O-N 2.78Å; L128-R131 HydrophobicContact CD2-CB 4.36Å; L128-R131 HydrophobicContact CD2-CG 3.96Å; L128-R131 PolarHBondContact O-N 2.85Å; L128-R131 VanDerWaalsContact O-N 3.12Å; L128-F134 HydrophobicContact CB-CB 4.18Å; L128-F134 HydrophobicContact CB-CD1 3.52Å; L128-F134 HydrophobicContact CB-CE1 3.96Å; L128-F134 HydrophobicContact CB-CG 3.85Å; L128-F134 HydrophobicContact CD1-CD1 4.19Å; L128-F134 HydrophobicContact CD1-CD2 3.9Å; L128-F134 HydrophobicContact CD1-CE1 4.22Å; L128-F134 HydrophobicContact CD1-CE2 3.94Å; L128-F134 HydrophobicContact CD1-CG 4.01Å; L128-F134 HydrophobicContact CD1-CZ 4.08Å; L128-F134 HydrophobicContact CG-CD1 4.46Å; L128-F134 HydrophobicContact CG-CG 4.42Å
129	S	92.4	Very high	94.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.8	-173.7	54.2	0	0	0	0	116	G124 Y125 G126 R336	G124-S129 WeakPolarHBondContact O-CB 3.16Å; Y125-S129 VanDerWaalsContact C-OG 3.32Å; Y125-S129 WeakPolarHBondContact CA-OG 3.11Å; G126-S129 PolarHBondContact N-OG 3.18Å; G126-S129 WeakPolarHBondContact O-CB 3.25Å; G126-S129 PolarHBondContact O-N 2.93Å; G126-S129 PolarHBondContact O-OG 2.79Å; S129-R336 WeakPolarHBondContact OG-CD 3.4Å
130	E	87.6	Confident	94.6	Very high	76 Å²	76	37 Å²	37	36%	0.355	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	14.2	175.4	-68.6	173.9	177.9	0	0	112.3	L128 S132 V153 N334 R336	L128-E130 VanDerWaalsContact C-N 3.25Å; L128-E130 PolarHBondContact O-N 2.78Å; E130-S132 PolarHBondContact O-N 2.87Å; E130-V153 WeakPolarHBondContact O-CG1 3.4Å; E130-N334 PolarHBondContact OE1-OD1 2.64Å; E130-R336 VanDerWaalsContact CD-NE 3.28Å; E130-R336 HydrophobicContact CG-CG 4.01Å; E130-R336 WeakPolarHBondContact OE1-CD 3.38Å; E130-R336 IonicContact OE1-CZ 2.69Å; E130-R336 IonicContact OE1-NE 3.52Å; E130-R336 PolarHBondContact OE1-NE 2.88Å; E130-R336 IonicContact OE1-NH2 3.64Å; E130-R336 PolarHBondContact OE1-NH2 2.68Å
131	R	89.8	Confident	94.5	Very high	135 Å²	135	38.3 Å²	38.3	51%	0.509	21%	0.208	S	C	.	.			trans	-87.9	104.8	177.8	-66.5	-65.6	-175.3	-178.9	-2.4	109.5	L128 E133 F134 A135	L128-R131 HydrophobicContact CD2-CB 4.36Å; L128-R131 HydrophobicContact CD2-CG 3.96Å; L128-R131 PolarHBondContact O-N 2.85Å; L128-R131 VanDerWaalsContact O-N 3.12Å; R131-E133 PolarHBondContact O-N 3.49Å; R131-F134 HydrophobicContact CB-CB 4.01Å; R131-F134 WeakPolarHBondContact O-CB 3.45Å; R131-F134 PolarHBondContact O-N 2.88Å; R131-A135 PolarHBondContact O-N 3.04Å
132	S	92.8	Very high	94.3	Very high	24 Å²	24	40.9 Å²	40.9	17%	0.168	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-32.8	177.5	69.8	0	0	0	0	112.4	E130 F134 A135 Q136	E130-S132 PolarHBondContact O-N 2.87Å; S132-F134 VanDerWaalsContact C-N 3.28Å; S132-F134 PolarHBondContact O-N 3.34Å; S132-A135 PolarHBondContact O-N 3.17Å; S132-Q136 WeakPolarHBondContact O-CB 3.44Å; S132-Q136 PolarHBondContact O-N 3.16Å
133	E	93.5	Very high	94.2	Very high	112 Å²	112	41.1 Å²	41.1	52%	0.523	24%	0.236	S	C	.	.	H	α-helix	trans	-64.3	-33.2	176.1	-56.7	83.5	175.9	0	0	112.2	I106 R131 A137	I106-E133 HydrophobicContact CD1-CB 4.31Å; R131-E133 PolarHBondContact O-N 3.49Å; E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.13Å; E133-A137 PolarHBondContact O-N 3.08Å
134	F	95.9	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-74.7	-43.2	177.6	-176.9	-126.1	0	0	0	111.7	A50 I106 I109 I110 I121 P123 L128 R131 S132 Q136 A137 C138 F145	A50-F134 HydrophobicContact CB-CE1 3.96Å; A50-F134 HydrophobicContact CB-CZ 3.77Å; I106-F134 HydrophobicContact CB-CD2 4.31Å; I106-F134 HydrophobicContact CD1-CB 3.9Å; I106-F134 HydrophobicContact CG1-CB 4.1Å; I106-F134 HydrophobicContact CG1-CD2 3.84Å; I106-F134 HydrophobicContact CG1-CG 4.32Å; I106-F134 HydrophobicContact CG2-CD2 3.93Å; I109-F134 HydrophobicContact CB-CE2 4.46Å; I109-F134 HydrophobicContact CG2-CE2 3.91Å; I109-F134 HydrophobicContact CG2-CZ 3.95Å; I110-F134 HydrophobicContact CD1-CD2 4.39Å; I110-F134 HydrophobicContact CD1-CE2 3.95Å; I110-F134 HydrophobicContact CG1-CE2 4.39Å; I121-F134 HydrophobicContact CD1-CZ 4.36Å; I121-F134 HydrophobicContact CG2-CE1 3.97Å; I121-F134 HydrophobicContact CG2-CZ 3.81Å; P123-F134 HydrophobicContact CB-CE1 4.31Å; L128-F134 HydrophobicContact CB-CB 4.18Å; L128-F134 HydrophobicContact CB-CD1 3.52Å; L128-F134 HydrophobicContact CB-CE1 3.96Å; L128-F134 HydrophobicContact CB-CG 3.85Å; L128-F134 HydrophobicContact CD1-CD1 4.19Å; L128-F134 HydrophobicContact CD1-CD2 3.9Å; L128-F134 HydrophobicContact CD1-CE1 4.22Å; L128-F134 HydrophobicContact CD1-CE2 3.94Å; L128-F134 HydrophobicContact CD1-CG 4.01Å; L128-F134 HydrophobicContact CD1-CZ 4.08Å; L128-F134 HydrophobicContact CG-CD1 4.46Å; L128-F134 HydrophobicContact CG-CG 4.42Å; R131-F134 HydrophobicContact CB-CB 4.01Å; R131-F134 WeakPolarHBondContact O-CB 3.45Å; R131-F134 PolarHBondContact O-N 2.88Å; S132-F134 VanDerWaalsContact C-N 3.28Å; S132-F134 PolarHBondContact O-N 3.34Å; F134-Q136 VanDerWaalsContact C-N 3.31Å; F134-Q136 PolarHBondContact O-N 3.49Å; F134-A137 PolarHBondContact O-N 2.77Å; F134-C138 PolarHBondContact O-N 2.74Å; F134-C138 PolarHBondContact O-SG 2.83Å; F134-F145 HydrophobicContact CD1-CD2 4.46Å; F134-F145 AromaticContact CD1-CE2 3.9Å; F134-F145 HydrophobicContact CD1-CE2 3.9Å; F134-F145 HydrophobicContact CE1-CE2 4.23Å
135	A	95.2	Very high	94.2	Very high	3 Å²	3	44 Å²	44	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-42.8	174.2	0	0	0	0	0	111.1	R131 S132 C138 A139 F145 A150	R131-A135 PolarHBondContact O-N 3.04Å; S132-A135 PolarHBondContact O-N 3.17Å; A135-C138 PolarHBondContact O-N 3.31Å; A135-A139 PolarHBondContact O-N 3.2Å; A135-A139 VanDerWaalsContact O-N 3.1Å; A135-F145 HydrophobicContact CB-CD1 3.8Å; A135-F145 HydrophobicContact CB-CD2 4.15Å; A135-F145 HydrophobicContact CB-CE1 3.79Å; A135-F145 HydrophobicContact CB-CE2 4.14Å; A135-F145 HydrophobicContact CB-CG 3.97Å; A135-F145 HydrophobicContact CB-CZ 3.96Å; A135-A150 HydrophobicContact CB-CB 3.86Å
136	Q	96.8	Very high	94.4	Very high	88 Å²	88	42.7 Å²	42.7	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-44.7	175	-170	61.9	54.7	0	0	111.6	S132 F134 C138 A139 D140 A150	S132-Q136 WeakPolarHBondContact O-CB 3.44Å; S132-Q136 PolarHBondContact O-N 3.16Å; F134-Q136 VanDerWaalsContact C-N 3.31Å; F134-Q136 PolarHBondContact O-N 3.49Å; Q136-C138 VanDerWaalsContact C-N 3.27Å; Q136-C138 PolarHBondContact O-N 2.88Å; Q136-A139 WeakPolarHBondContact O-CB 3.49Å; Q136-A139 PolarHBondContact O-N 2.85Å; Q136-A139 VanDerWaalsContact O-N 3.08Å; Q136-D140 PolarHBondContact NE2-OD1 2.84Å; Q136-D140 WeakPolarHBondContact O-CB 3.04Å; Q136-D140 PolarHBondContact O-N 3Å; Q136-A150 HydrophobicContact CB-CB 4.1Å
137	A	96.9	Very high	94.7	Very high	23 Å²	23	41.5 Å²	41.5	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-32.9	178	0	0	0	0	0	113	I106 I110 E133 F134 A141	I106-A137 HydrophobicContact CG2-CB 3.9Å; I110-A137 HydrophobicContact CD1-CB 4.19Å; I110-A137 HydrophobicContact CG1-CB 4.01Å; E133-A137 VanDerWaalsContact O-CB 3.24Å; E133-A137 WeakPolarHBondContact O-CB 3.13Å; E133-A137 PolarHBondContact O-N 3.08Å; F134-A137 PolarHBondContact O-N 2.77Å; A137-A141 VanDerWaalsContact O-CB 3.27Å; A137-A141 WeakPolarHBondContact O-CB 3.43Å; A137-A141 PolarHBondContact O-N 2.98Å; A137-A141 VanDerWaalsContact O-N 3.16Å
138	C	97.1	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-48.2	170.9	-65.6	0	0	0	0	111.1	I110 F134 A135 Q136 D140 A141 G142 I143 F145	I110-C138 HydrophobicContact CD1-CB 4.48Å; F134-C138 PolarHBondContact O-N 2.74Å; F134-C138 PolarHBondContact O-SG 2.83Å; A135-C138 PolarHBondContact O-N 3.31Å; Q136-C138 VanDerWaalsContact C-N 3.27Å; Q136-C138 PolarHBondContact O-N 2.88Å; C138-D140 PolarHBondContact O-N 3.2Å; C138-A141 CarbonylContact O-C 3.39Å; C138-A141 PolarHBondContact O-N 2.98Å; C138-G142 PolarHBondContact O-N 2.74Å; C138-G142 VanDerWaalsContact O-N 3.17Å; C138-I143 CarbonylContact C-O 3.57Å; C138-I143 HydrophobicContact CB-CB 4.39Å; C138-I143 PolarHBondContact O-N 2.88Å; C138-I143 VanDerWaalsContact O-O 3.09Å; C138-F145 HydrophobicContact CB-CB 3.97Å
139	A	94.7	Very high	94.8	Very high	61 Å²	61	40.5 Å²	40.5	50%	0.504	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-45.5	178.9	0	0	0	0	0	112.1	A135 Q136 A141 G142	A135-A139 PolarHBondContact O-N 3.2Å; A135-A139 VanDerWaalsContact O-N 3.1Å; Q136-A139 WeakPolarHBondContact O-CB 3.49Å; Q136-A139 PolarHBondContact O-N 2.85Å; Q136-A139 VanDerWaalsContact O-N 3.08Å; A139-A141 PolarHBondContact O-N 2.84Å; A139-G142 PolarHBondContact O-N 2.87Å
140	D	96.1	Very high	94.9	Very high	123 Å²	123	41.1 Å²	41.1	66%	0.658	24%	0.236	S	C	*	.	H	α-helix	trans	-62.5	-31.4	177.9	-65	-13.7	0	0	0	112.1	Q136 C138 G142	Q136-D140 PolarHBondContact NE2-OD1 2.84Å; Q136-D140 WeakPolarHBondContact O-CB 3.04Å; Q136-D140 PolarHBondContact O-N 3Å; C138-D140 PolarHBondContact O-N 3.2Å; D140-G142 VanDerWaalsContact C-N 3.35Å
141	A	95.9	Very high	95.2	Very high	28 Å²	28	42 Å²	42	23%	0.231	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.3	176.5	0	0	0	0	0	113.9	I110 L114 A137 C138 A139 I143	I110-A141 HydrophobicContact CG2-CB 3.72Å; L114-A141 HydrophobicContact CD1-CB 4.32Å; L114-A141 HydrophobicContact CD2-CB 4.24Å; L114-A141 HydrophobicContact CG-CB 4.45Å; A137-A141 VanDerWaalsContact O-CB 3.27Å; A137-A141 WeakPolarHBondContact O-CB 3.43Å; A137-A141 PolarHBondContact O-N 2.98Å; A137-A141 VanDerWaalsContact O-N 3.16Å; C138-A141 CarbonylContact O-C 3.39Å; C138-A141 PolarHBondContact O-N 2.98Å; A139-A141 PolarHBondContact O-N 2.84Å; A141-I143 VanDerWaalsContact C-N 3.3Å; A141-I143 HydrophobicContact CB-CD1 3.94Å; A141-I143 HydrophobicContact CB-CG1 4.13Å; A141-I143 PolarHBondContact O-N 2.8Å
142	G	94.8	Very high	95.3	Very high	53 Å²	53	35.6 Å²	35.6	55%	0.546	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	21.9	-176.6	0	0	0	0	0	114.4	C138 A139 D140	C138-G142 PolarHBondContact O-N 2.74Å; C138-G142 VanDerWaalsContact O-N 3.17Å; A139-G142 PolarHBondContact O-N 2.87Å; D140-G142 VanDerWaalsContact C-N 3.35Å
143	I	96.9	Very high	95.2	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.036	21%	0.212	C	C	.	.			trans	-101.1	130.9	179.3	-58.9	169.8	0	0	0	108.8	A113 L114 I121 C138 A141 F145	A113-I143 HydrophobicContact CB-CD1 3.63Å; L114-I143 HydrophobicContact CD2-CD1 4.27Å; L114-I143 HydrophobicContact CG-CD1 4.29Å; I121-I143 HydrophobicContact CB-CG2 4.36Å; I121-I143 HydrophobicContact CD1-CD1 4.32Å; I121-I143 HydrophobicContact CD1-CG2 3.86Å; I121-I143 HydrophobicContact CG1-CG2 3.79Å; C138-I143 CarbonylContact C-O 3.57Å; C138-I143 HydrophobicContact CB-CB 4.39Å; C138-I143 PolarHBondContact O-N 2.88Å; C138-I143 VanDerWaalsContact O-O 3.09Å; A141-I143 VanDerWaalsContact C-N 3.3Å; A141-I143 HydrophobicContact CB-CD1 3.94Å; A141-I143 HydrophobicContact CB-CG1 4.13Å; A141-I143 PolarHBondContact O-N 2.8Å; I143-F145 PolarHBondContact O-N 3.48Å
144	I	96.9	Very high	95.1	Very high	37 Å²	37	35.6 Å²	35.6	19%	0.19	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	113.7	179.1	-61.4	169	0	0	0	109.4	I44 E119 A120 I121 A360	I44-I144 HydrophobicContact CD1-CD1 4.39Å; I44-I144 HydrophobicContact CG1-CD1 4.07Å; E119-I144 PolarHBondContact O-N 3.18Å; A120-I144 CarbonylContact C-O 3.57Å; A120-I144 WeakPolarHBondContact CA-O 3.28Å; A120-I144 HydrophobicContact CB-CB 3.91Å; A120-I144 HydrophobicContact CB-CG2 4.43Å; A120-I144 WeakPolarHBondContact CB-O 3.45Å; I121-I144 PolarHBondContact N-O 3.29Å; I144-A360 HydrophobicContact CG2-CB 3.89Å
145	F	97.1	Very high	94.7	Very high	27 Å²	27	39.6 Å²	39.6	12%	0.118	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121	168.7	-178.4	-103.4	0	0	0	109.8	P123 F134 A135 C138 I143 G147 V153	P123-F145 HydrophobicContact CB-CE2 4.03Å; P123-F145 HydrophobicContact CB-CZ 4.39Å; P123-F145 HydrophobicContact CG-CE2 3.71Å; P123-F145 HydrophobicContact CG-CZ 3.73Å; F134-F145 HydrophobicContact CD1-CD2 4.46Å; F134-F145 AromaticContact CD1-CE2 3.9Å; F134-F145 HydrophobicContact CD1-CE2 3.9Å; F134-F145 HydrophobicContact CE1-CE2 4.23Å; A135-F145 HydrophobicContact CB-CD1 3.8Å; A135-F145 HydrophobicContact CB-CD2 4.15Å; A135-F145 HydrophobicContact CB-CE1 3.79Å; A135-F145 HydrophobicContact CB-CE2 4.14Å; A135-F145 HydrophobicContact CB-CG 3.97Å; A135-F145 HydrophobicContact CB-CZ 3.96Å; C138-F145 HydrophobicContact CB-CB 3.97Å; I143-F145 PolarHBondContact O-N 3.48Å; F145-G147 PolarHBondContact O-N 3.18Å; F145-V153 HydrophobicContact CE1-CG2 4.49Å
146	I	97.4	Very high	94.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.23	C	C	.	.	S	Bend	trans	-87.7	88	178.7	-59.4	172.1	0	0	0	108.7	I44 L47 A120 I121 H122 P123 Q356 I357 A360	I44-I146 HydrophobicContact CD1-CD1 4.43Å; L47-I146 HydrophobicContact CD1-CD1 3.22Å; L47-I146 HydrophobicContact CG-CD1 4Å; A120-I146 HydrophobicContact CB-CD1 3.95Å; A120-I146 HydrophobicContact CB-CG1 4.28Å; I121-I146 PolarHBondContact O-N 3.34Å; H122-I146 HydrophobicContact CB-CB 4.22Å; H122-I146 HydrophobicContact CB-CD1 4.11Å; P123-I146 VanDerWaalsContact CD-O 3.3Å; P123-I146 WeakPolarHBondContact CD-O 3.32Å; I146-Q356 HydrophobicContact CG2-CB 3.88Å; I146-I357 HydrophobicContact CD1-CG1 4.15Å; I146-A360 HydrophobicContact CB-CB 4.41Å; I146-A360 HydrophobicContact CG1-CB 3.84Å; I146-A360 HydrophobicContact CG2-CB 4.33Å
147	G	95.5	Very high	93.3	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	24%	0.237	C	C	.	.	S	Bend	trans	172.4	-171.6	-179	0	0	0	0	0	110	F145	F145-G147 PolarHBondContact O-N 3.18Å
148	P	94.6	Very high	92.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	25%	0.247	C	C	.	.	S	Bend	trans	-64.2	156.3	173.4	-17.6	31.3	0	0	0	111.3	V152 V153 Y311 E312 A335	P148-V152 HydrophobicContact CB-CB 4.03Å; P148-V152 HydrophobicContact CB-CG1 3.79Å; P148-V153 HydrophobicContact CB-CG2 4.09Å; P148-V153 HydrophobicContact CG-CG2 4.49Å; P148-V153 WeakPolarHBondContact O-CG2 3.44Å; P148-Y311 HydrophobicContact CB-CE2 4.42Å; P148-Y311 HydrophobicContact CG-CE1 3.92Å; P148-Y311 HydrophobicContact CG-CE2 3.9Å; P148-Y311 VanDerWaalsContact CG-CZ 3.41Å; P148-Y311 WeakPolarHBondContact CG-OH 3.38Å; P148-E312 WeakPolarHBondContact CA-O 3.38Å; P148-E312 WeakPolarHBondContact CG-O 3.47Å; P148-A335 VanDerWaalsContact CD-O 3.28Å; P148-A335 WeakPolarHBondContact CD-O 3.33Å; P148-A335 HydrophobicContact CG-CB 4.24Å
149	P	93.6	Very high	91.3	Very high	39 Å²	39	46.1 Å²	46.1	25%	0.253	27%	0.271	S	S	.	.			trans	-64.3	154.6	176.7	27.7	-35.2	0	0	0	111.5	N151 V152 V153	P149-N151 VanDerWaalsContact CB-OD1 3.29Å; P149-N151 WeakPolarHBondContact CB-OD1 3.48Å; P149-N151 WeakPolarHBondContact CG-OD1 3.39Å; P149-N151 PolarHBondContact O-N 2.96Å; P149-N151 VanDerWaalsContact O-N 3.11Å; P149-V152 HydrophobicContact CG-CB 4.05Å; P149-V152 HydrophobicContact CG-CG2 3.68Å; P149-V152 WeakPolarHBondContact O-CA 3.16Å; P149-V152 WeakPolarHBondContact O-CB 3.46Å; P149-V152 PolarHBondContact O-N 3.2Å; P149-V153 PolarHBondContact O-N 3.24Å
150	A	93.8	Very high	90.5	Very high	15 Å²	15	46.6 Å²	46.6	12%	0.124	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-33.7	-170.7	0	0	0	0	0	113.9	A135 Q136 K154	A135-A150 HydrophobicContact CB-CB 3.86Å; Q136-A150 HydrophobicContact CB-CB 4.1Å; A150-K154 WeakPolarHBondContact O-CB 3.2Å; A150-K154 PolarHBondContact O-N 3.27Å
151	N	93.2	Very high	89.8	Confident	94 Å²	94	44.8 Å²	44.8	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-65.6	-39.8	174.2	65	-32.1	0	0	0	112.4	P149 K154 R155	P149-N151 VanDerWaalsContact CB-OD1 3.29Å; P149-N151 WeakPolarHBondContact CB-OD1 3.48Å; P149-N151 WeakPolarHBondContact CG-OD1 3.39Å; P149-N151 PolarHBondContact O-N 2.96Å; P149-N151 VanDerWaalsContact O-N 3.11Å; N151-K154 PolarHBondContact O-N 3.29Å; N151-R155 WeakPolarHBondContact O-CB 3.38Å; N151-R155 VanDerWaalsContact O-CG 3.23Å; N151-R155 WeakPolarHBondContact O-CG 3.28Å; N151-R155 PolarHBondContact O-N 2.75Å
152	V	92.7	Very high	89.4	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-70	-44.4	176	174.3	0	0	0	0	110.1	P148 P149 K154 R155 M156 V309 Y311	P148-V152 HydrophobicContact CB-CB 4.03Å; P148-V152 HydrophobicContact CB-CG1 3.79Å; P149-V152 HydrophobicContact CG-CB 4.05Å; P149-V152 HydrophobicContact CG-CG2 3.68Å; P149-V152 WeakPolarHBondContact O-CA 3.16Å; P149-V152 WeakPolarHBondContact O-CB 3.46Å; P149-V152 PolarHBondContact O-N 3.2Å; V152-K154 VanDerWaalsContact C-N 3.27Å; V152-K154 PolarHBondContact O-N 3.11Å; V152-R155 PolarHBondContact O-N 2.99Å; V152-M156 HydrophobicContact CG1-CG 3.95Å; V152-M156 VanDerWaalsContact O-CB 3.3Å; V152-M156 WeakPolarHBondContact O-CB 3.44Å; V152-M156 VanDerWaalsContact O-CG 3.3Å; V152-M156 WeakPolarHBondContact O-CG 3.39Å; V152-M156 PolarHBondContact O-N 3.03Å; V152-V309 WeakPolarHBondContact CG2-O 3.35Å; V152-Y311 HydrophobicContact CG1-CD2 3.75Å; V152-Y311 HydrophobicContact CG1-CE2 4.09Å
153	V	90.9	Very high	89	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-43.2	174.7	178.5	0	0	0	0	110.8	E130 F145 P148 P149 G157	E130-V153 WeakPolarHBondContact O-CG1 3.4Å; F145-V153 HydrophobicContact CE1-CG2 4.49Å; P148-V153 HydrophobicContact CB-CG2 4.09Å; P148-V153 HydrophobicContact CG-CG2 4.49Å; P148-V153 WeakPolarHBondContact O-CG2 3.44Å; P149-V153 PolarHBondContact O-N 3.24Å; V153-G157 WeakPolarHBondContact O-CA 3.46Å; V153-G157 PolarHBondContact O-N 3.34Å
154	K	90.2	Very high	88.6	Confident	133 Å²	133	47.1 Å²	47.1	58%	0.578	25%	0.246	S	C	*	.	H	α-helix	trans	-63.2	-51.3	176.4	-174.7	177.6	177.4	-177.7	0	112.1	A150 N151 V152 M156 G157 D158	A150-K154 WeakPolarHBondContact O-CB 3.2Å; A150-K154 PolarHBondContact O-N 3.27Å; N151-K154 PolarHBondContact O-N 3.29Å; V152-K154 VanDerWaalsContact C-N 3.27Å; V152-K154 PolarHBondContact O-N 3.11Å; K154-M156 VanDerWaalsContact C-N 3.34Å; K154-M156 PolarHBondContact O-N 3Å; K154-G157 PolarHBondContact O-N 3.46Å; K154-D158 PolarHBondContact O-N 3.3Å; K154-D158 VanDerWaalsContact O-N 3.14Å
155	R	87.9	Confident	88.2	Confident	85 Å²	85	45.7 Å²	45.7	32%	0.321	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-37.8	-178.1	-73.9	172.3	66.8	-164.7	1.1	113.1	N151 V152 E161 A162	N151-R155 WeakPolarHBondContact O-CB 3.38Å; N151-R155 VanDerWaalsContact O-CG 3.23Å; N151-R155 WeakPolarHBondContact O-CG 3.28Å; N151-R155 PolarHBondContact O-N 2.75Å; V152-R155 PolarHBondContact O-N 2.99Å; R155-E161 WeakPolarHBondContact CA-OE2 3.27Å; R155-E161 WeakPolarHBondContact CG-OE2 3.25Å; R155-E161 WeakPolarHBondContact O-CB 3.27Å; R155-A162 PolarHBondContact O-N 3.48Å
156	M	86.7	Confident	88	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-84.3	-26.9	-179	-64.8	-58.1	107	0	0	112.3	V152 K154 A165 V309 V333 A335	V152-M156 HydrophobicContact CG1-CG 3.95Å; V152-M156 VanDerWaalsContact O-CB 3.3Å; V152-M156 WeakPolarHBondContact O-CB 3.44Å; V152-M156 VanDerWaalsContact O-CG 3.3Å; V152-M156 WeakPolarHBondContact O-CG 3.39Å; V152-M156 PolarHBondContact O-N 3.03Å; K154-M156 VanDerWaalsContact C-N 3.34Å; K154-M156 PolarHBondContact O-N 3Å; M156-A165 HydrophobicContact CE-CB 4.02Å; M156-V309 HydrophobicContact CE-CB 3.99Å; M156-V309 HydrophobicContact CE-CG1 3.6Å; M156-V309 HydrophobicContact CE-CG2 3.97Å; M156-V309 HydrophobicContact SD-CG2 4.17Å; M156-V333 HydrophobicContact CB-CB 4.12Å; M156-V333 HydrophobicContact CB-CG1 4.25Å; M156-V333 HydrophobicContact CG-CB 4.25Å; M156-V333 HydrophobicContact CG-CG1 4.15Å; M156-V333 HydrophobicContact SD-CB 3.95Å; M156-V333 HydrophobicContact SD-CG1 4.23Å; M156-V333 HydrophobicContact SD-CG2 3.83Å; M156-A335 HydrophobicContact CB-CB 4.21Å
157	G	76.4	Confident	87.7	Confident	54 Å²	54	47.7 Å²	47.7	56%	0.557	25%	0.25	S	S	*	.	H	α-helix	trans	-76.9	-23.9	176	0	0	0	0	0	113.9	V153 K154	V153-G157 WeakPolarHBondContact O-CA 3.46Å; V153-G157 PolarHBondContact O-N 3.34Å; K154-G157 PolarHBondContact O-N 3.46Å
158	D	77	Confident	87.5	Confident	73 Å²	73	52.6 Å²	52.6	39%	0.39	28%	0.275	S	S	.	.	S	Bend	trans	-83.5	116.4	170.3	-171.9	-40.1	0	0	0	110.1	K154 V160 E161 A162	K154-D158 PolarHBondContact O-N 3.3Å; K154-D158 VanDerWaalsContact O-N 3.14Å; D158-V160 PolarHBondContact O-N 2.85Å; D158-V160 WeakPolarHBondContact OD1-CB 3.19Å; D158-V160 PolarHBondContact OD1-N 3Å; D158-E161 HydrophobicContact CB-CB 4.1Å; D158-E161 HydrophobicContact CB-CG 4.19Å; D158-E161 PolarHBondContact O-N 2.88Å; D158-E161 PolarHBondContact OD1-N 3.3Å; D158-A162 VanDerWaalsContact O-CB 3.25Å; D158-A162 WeakPolarHBondContact O-CB 3.32Å; D158-A162 PolarHBondContact O-N 2.88Å
159	K	74.4	Confident	87.4	Confident	117 Å²	117	52.9 Å²	52.9	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-59.4	-32.7	-178.2	-70.2	-178	177.2	174.3	0	113.2	R163	K159-R163 WeakPolarHBondContact O-CB 3.49Å; K159-R163 PolarHBondContact O-N 3.4Å; K159-R163 VanDerWaalsContact O-N 3.09Å
160	V	77.7	Confident	87.4	Confident	71 Å²	71	57 Å²	57	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-74.6	-47	-179.8	-177.7	0	0	0	0	109.8	D158 R163 Q164	D158-V160 PolarHBondContact O-N 2.85Å; D158-V160 WeakPolarHBondContact OD1-CB 3.19Å; D158-V160 PolarHBondContact OD1-N 3Å; V160-R163 PolarHBondContact O-N 2.65Å; V160-Q164 WeakPolarHBondContact O-CB 3.44Å; V160-Q164 PolarHBondContact O-N 3Å
161	E	83.2	Confident	87.3	Confident	86 Å²	86	56.5 Å²	56.5	40%	0.402	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-41.2	178	-66.4	-165.1	172.1	0	0	112.1	R155 D158 Q164 A165	R155-E161 WeakPolarHBondContact CA-OE2 3.27Å; R155-E161 WeakPolarHBondContact CG-OE2 3.25Å; R155-E161 WeakPolarHBondContact O-CB 3.27Å; D158-E161 HydrophobicContact CB-CB 4.1Å; D158-E161 HydrophobicContact CB-CG 4.19Å; D158-E161 PolarHBondContact O-N 2.88Å; D158-E161 PolarHBondContact OD1-N 3.3Å; E161-Q164 PolarHBondContact O-N 2.98Å; E161-A165 WeakPolarHBondContact O-CB 3.15Å; E161-A165 PolarHBondContact O-N 3.39Å
162	A	85.8	Confident	87.2	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-43.5	176.5	0	0	0	0	0	111.6	R155 D158 A165 A166 F330	R155-A162 PolarHBondContact O-N 3.48Å; D158-A162 VanDerWaalsContact O-CB 3.25Å; D158-A162 WeakPolarHBondContact O-CB 3.32Å; D158-A162 PolarHBondContact O-N 2.88Å; A162-A165 WeakPolarHBondContact O-CB 3.34Å; A162-A165 PolarHBondContact O-N 3.32Å; A162-A166 PolarHBondContact O-N 2.88Å; A162-F330 HydrophobicContact CB-CE1 4.49Å; A162-F330 HydrophobicContact CB-CZ 4.32Å
163	R	86.9	Confident	87.2	Confident	38 Å²	38	56.2 Å²	56.2	14%	0.143	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-43.1	174.6	-178.8	-178.1	176	89.9	9.8	111.7	K159 V160 A165 A166 I167 V173 V174 E243	K159-R163 WeakPolarHBondContact O-CB 3.49Å; K159-R163 PolarHBondContact O-N 3.4Å; K159-R163 VanDerWaalsContact O-N 3.09Å; V160-R163 PolarHBondContact O-N 2.65Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 2.81Å; R163-A166 WeakPolarHBondContact O-CB 3.3Å; R163-A166 PolarHBondContact O-N 3.4Å; R163-I167 HydrophobicContact CG-CD1 4.27Å; R163-I167 WeakPolarHBondContact O-CG1 3.36Å; R163-I167 PolarHBondContact O-N 2.96Å; R163-V173 HydrophobicContact CG-CB 4.39Å; R163-V173 HydrophobicContact CG-CG1 4.18Å; R163-V174 PolarHBondContact NH1-O 2.59Å; R163-V174 PolarHBondContact NH2-O 2.76Å; R163-E243 IonicContact NH1-OE1 3.25Å; R163-E243 PolarHBondContact NH1-OE1 3.26Å
164	Q	88	Confident	87	Confident	95 Å²	95	56.3 Å²	56.3	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-38.6	176.4	-170.8	60.7	54.5	0	0	111.6	V160 E161 I167 N168	V160-Q164 WeakPolarHBondContact O-CB 3.44Å; V160-Q164 PolarHBondContact O-N 3Å; E161-Q164 PolarHBondContact O-N 2.98Å; Q164-I167 PolarHBondContact O-N 3.26Å; Q164-N168 PolarHBondContact NE2-OD1 3.49Å; Q164-N168 WeakPolarHBondContact O-CB 3.21Å; Q164-N168 PolarHBondContact O-N 3.37Å; Q164-N168 PolarHBondContact O-ND2 3.24Å; Q164-N168 PolarHBondContact O-OD1 2.88Å
165	A	90.1	Very high	86.8	Confident	7 Å²	7	51.7 Å²	51.7	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-42.6	173.8	0	0	0	0	0	111.7	M156 E161 A162 R163 N168 A169 L305 V309	M156-A165 HydrophobicContact CE-CB 4.02Å; E161-A165 WeakPolarHBondContact O-CB 3.15Å; E161-A165 PolarHBondContact O-N 3.39Å; A162-A165 WeakPolarHBondContact O-CB 3.34Å; A162-A165 PolarHBondContact O-N 3.32Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 2.81Å; A165-N168 PolarHBondContact O-N 3.33Å; A165-A169 VanDerWaalsContact O-CB 3.27Å; A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 2.88Å; A165-L305 HydrophobicContact CB-CD1 4.15Å; A165-V309 HydrophobicContact CB-CG1 3.96Å
166	A	91.6	Very high	86.6	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-46.3	174	0	0	0	0	0	112.3	A162 R163 N168 A169 N170 V171 V173 L305 F330	A162-A166 PolarHBondContact O-N 2.88Å; R163-A166 WeakPolarHBondContact O-CB 3.3Å; R163-A166 PolarHBondContact O-N 3.4Å; A166-N168 PolarHBondContact O-N 2.85Å; A166-A169 CarbonylContact O-C 3.59Å; A166-A169 PolarHBondContact O-N 3.31Å; A166-N170 PolarHBondContact O-N 3.33Å; A166-V171 HydrophobicContact CB-CB 4.23Å; A166-V171 WeakPolarHBondContact O-CB 3.4Å; A166-V171 PolarHBondContact O-N 3.45Å; A166-V173 HydrophobicContact CB-CG1 3.7Å; A166-L305 HydrophobicContact CB-CD1 4.34Å; A166-L305 HydrophobicContact CB-CD2 4.33Å; A166-F330 HydrophobicContact CB-CB 4.36Å; A166-F330 HydrophobicContact CB-CD1 3.46Å; A166-F330 VanDerWaalsContact CB-CD1 3.46Å; A166-F330 HydrophobicContact CB-CD2 4.5Å; A166-F330 HydrophobicContact CB-CE1 3.8Å; A166-F330 HydrophobicContact CB-CG 3.84Å; A166-F330 HydrophobicContact CB-CZ 4.44Å
167	I	91.1	Very high	86.5	Confident	70 Å²	70	47.9 Å²	47.9	36%	0.359	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-47.4	175.8	-66.3	166.1	0	0	0	110.6	R163 Q164 A169 N170 V173	R163-I167 HydrophobicContact CG-CD1 4.27Å; R163-I167 WeakPolarHBondContact O-CG1 3.36Å; R163-I167 PolarHBondContact O-N 2.96Å; Q164-I167 PolarHBondContact O-N 3.26Å; I167-A169 VanDerWaalsContact C-N 3.25Å; I167-A169 PolarHBondContact O-N 2.89Å; I167-N170 WeakPolarHBondContact O-CA 3.03Å; I167-N170 PolarHBondContact O-N 2.84Å; I167-V173 HydrophobicContact CD1-CG2 4.03Å; I167-V173 HydrophobicContact CG1-CG1 3.98Å; I167-V173 HydrophobicContact CG1-CG2 3.75Å
168	N	92.1	Very high	86.4	Confident	114 Å²	114	52.1 Å²	52.1	61%	0.61	29%	0.287	S	S	*	.	H	α-helix	trans	-63.2	-32.4	179.3	-67.6	-7.7	0	0	0	112.2	Q164 A165 A166 N170	Q164-N168 PolarHBondContact NE2-OD1 3.49Å; Q164-N168 WeakPolarHBondContact O-CB 3.21Å; Q164-N168 PolarHBondContact O-N 3.37Å; Q164-N168 PolarHBondContact O-ND2 3.24Å; Q164-N168 PolarHBondContact O-OD1 2.88Å; A165-N168 PolarHBondContact O-N 3.33Å; A166-N168 PolarHBondContact O-N 2.85Å; N168-N170 PolarHBondContact O-N 3.15Å
169	A	92.5	Very high	86.6	Confident	7 Å²	7	49.6 Å²	49.6	6%	0.058	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	4.8	174.6	0	0	0	0	0	113.4	A165 A166 I167 V171 R304 L305	A165-A169 VanDerWaalsContact O-CB 3.27Å; A165-A169 WeakPolarHBondContact O-CB 3.3Å; A165-A169 PolarHBondContact O-N 2.88Å; A166-A169 CarbonylContact O-C 3.59Å; A166-A169 PolarHBondContact O-N 3.31Å; I167-A169 VanDerWaalsContact C-N 3.25Å; I167-A169 PolarHBondContact O-N 2.89Å; A169-V171 VanDerWaalsContact C-N 3.26Å; A169-V171 HydrophobicContact CB-CG2 4.15Å; A169-V171 PolarHBondContact O-N 3.45Å; A169-R304 WeakPolarHBondContact O-CD 3.4Å; A169-R304 PolarHBondContact O-NE 3.47Å; A169-R304 PolarHBondContact O-NH1 2.93Å; A169-L305 HydrophobicContact CB-CB 4.5Å; A169-L305 HydrophobicContact CB-CD1 4.19Å
170	N	93	Very high	86.9	Confident	125 Å²	125	46.6 Å²	46.6	67%	0.668	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	36.8	-175	-67.2	-52.9	0	0	0	113.1	A166 I167 N168 R304	A166-N170 PolarHBondContact O-N 3.33Å; I167-N170 WeakPolarHBondContact O-CA 3.03Å; I167-N170 PolarHBondContact O-N 2.84Å; N168-N170 PolarHBondContact O-N 3.15Å; N170-R304 VanDerWaalsContact CB-NH1 3.29Å; N170-R304 PolarHBondContact O-NH1 2.89Å; N170-R304 PolarHBondContact O-NH2 3.44Å
171	V	92.9	Very high	87.4	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.03	25%	0.252	C	S	.	.			trans	-96.8	132.6	172.3	179.4	0	0	0	0	109.1	A166 A169 V173 D301 L305 F319 F330	A166-V171 HydrophobicContact CB-CB 4.23Å; A166-V171 WeakPolarHBondContact O-CB 3.4Å; A166-V171 PolarHBondContact O-N 3.45Å; A169-V171 VanDerWaalsContact C-N 3.26Å; A169-V171 HydrophobicContact CB-CG2 4.15Å; A169-V171 PolarHBondContact O-N 3.45Å; V171-V173 PolarHBondContact O-N 3.4Å; V171-D301 HydrophobicContact CG1-CB 4.14Å; V171-D301 HydrophobicContact CG2-CB 3.94Å; V171-L305 HydrophobicContact CG2-CB 4.18Å; V171-F319 HydrophobicContact CG1-CE1 3.88Å; V171-F330 HydrophobicContact CG1-CB 3.9Å
172	S	91.1	Very high	87.6	Confident	66 Å²	66	44.5 Å²	44.5	46%	0.462	26%	0.263	S	S	.	.			trans	-65.9	128	-178.4	-66.7	0	0	0	0	111.1	Y329 F330	S172-Y329 CarbonylContact O-C 3.33Å; S172-Y329 WeakPolarHBondContact O-CA 3.46Å; S172-F330 WeakPolarHBondContact O-CB 3.2Å; S172-F330 PolarHBondContact O-N 3.24Å
173	V	90.8	Very high	87.8	Confident	24 Å²	24	45.8 Å²	45.8	15%	0.145	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-111.7	155	175.8	-59.8	0	0	0	0	110.6	R163 A166 I167 V171 Y329 F330	R163-V173 HydrophobicContact CG-CB 4.39Å; R163-V173 HydrophobicContact CG-CG1 4.18Å; A166-V173 HydrophobicContact CB-CG1 3.7Å; I167-V173 HydrophobicContact CD1-CG2 4.03Å; I167-V173 HydrophobicContact CG1-CG1 3.98Å; I167-V173 HydrophobicContact CG1-CG2 3.75Å; V171-V173 PolarHBondContact O-N 3.4Å; V173-Y329 WeakPolarHBondContact O-CD1 3.31Å; V173-F330 HydrophobicContact CG1-CB 4.33Å; V173-F330 HydrophobicContact CG1-CD1 4.05Å
174	V	87.9	Confident	87.9	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.024	27%	0.27	C	S	.	.			trans	-60.5	126.7	175.4	-178.4	0	0	0	0	108.7	R163 G176 E243 K244 Y329 I331	R163-V174 PolarHBondContact NH1-O 2.59Å; R163-V174 PolarHBondContact NH2-O 2.76Å; V174-G176 PolarHBondContact O-N 3.46Å; V174-E243 HydrophobicContact CG1-CB 4.08Å; V174-K244 HydrophobicContact CG1-CB 4.19Å; V174-K244 WeakPolarHBondContact CG1-O 3.47Å; V174-Y329 VanDerWaalsContact CG2-CB 3.43Å; V174-Y329 HydrophobicContact CG2-CG 4Å; V174-I331 HydrophobicContact CG2-CG2 4.39Å
175	P	85.4	Confident	87.9	Confident	36 Å²	36	46 Å²	46	23%	0.234	28%	0.276	C	S	.	.			trans	-52.9	127	176.5	-26.1	34.5	0	0	0	111	Y194 E243 K244	P175-Y194 HydrophobicContact CB-CD1 3.67Å; P175-Y194 HydrophobicContact CB-CE1 3.88Å; P175-Y194 HydrophobicContact CB-CG 4.36Å; P175-E243 CarbonylContact O-C 3.58Å; P175-E243 WeakPolarHBondContact O-CA 3.48Å; P175-K244 HydrophobicContact CB-CB 4.38Å; P175-K244 PolarHBondContact O-N 3.43Å
176	G	84.6	Confident	87.8	Confident	8 Å²	8	49.5 Å²	49.5	8%	0.082	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-154.6	165.3	-171.1	0	0	0	0	0	111.5	V174 I242	V174-G176 PolarHBondContact O-N 3.46Å; G176-I242 CarbonylContact C-O 3.54Å; G176-I242 WeakPolarHBondContact CA-O 2.98Å
177	S	84.2	Confident	87.6	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.021	29%	0.291	C	S	.	.			trans	-58.5	143.4	178	53.5	0	0	0	0	110.5	G179 F241 I242	S177-G179 WeakPolarHBondContact CB-O 3.44Å; S177-G179 PolarHBondContact O-N 3.26Å; S177-G179 VanDerWaalsContact O-N 3.16Å; S177-G179 PolarHBondContact OG-O 3.06Å; S177-F241 WeakPolarHBondContact O-CE2 3.21Å; S177-F241 VanDerWaalsContact O-CZ 3.31Å; S177-F241 WeakPolarHBondContact O-CZ 3.15Å; S177-F241 WeakPolarHBondContact OG-CD2 3.34Å; S177-I242 PolarHBondContact N-O 2.98Å; S177-I242 PolarHBondContact OG-N 3.41Å
178	P	75.2	Confident	87.5	Confident	142 Å²	142	48.7 Å²	48.7	92%	0.922	29%	0.287	S	S	*	.	S	Bend	trans	-64.6	-19.2	-178.4	23.5	-32.3	0	0	0	113.2
179	G	79.5	Confident	87.3	Confident	20 Å²	20	48.3 Å²	48.3	21%	0.206	28%	0.281	C	S	.	.	S	Bend	trans	-157	-171.2	172.6	0	0	0	0	0	110.9	S177 I181	S177-G179 WeakPolarHBondContact CB-O 3.44Å; S177-G179 PolarHBondContact O-N 3.26Å; S177-G179 VanDerWaalsContact O-N 3.16Å; S177-G179 PolarHBondContact OG-O 3.06Å; G179-I181 PolarHBondContact O-N 3.09Å
180	P	82.3	Confident	87.1	Confident	54 Å²	54	48.5 Å²	48.5	35%	0.351	28%	0.281	S	S	.	.			trans	-58.3	135.6	172.2	-20.7	32.2	0	0	0	111.1	A203 Y204 A239 M240	P180-A203 HydrophobicContact CB-CB 3.87Å; P180-A203 HydrophobicContact CG-CB 4.07Å; P180-Y204 HydrophobicContact CG-CE2 4.41Å; P180-A239 HydrophobicContact CB-CB 4.13Å; P180-M240 CarbonylContact C-O 3.53Å; P180-M240 VanDerWaalsContact CA-O 3.28Å; P180-M240 WeakPolarHBondContact CA-O 3.41Å
181	I	87.4	Confident	86.9	Confident	11 Å²	11	42.8 Å²	42.8	6%	0.056	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-102.5	142.8	173.1	55.6	164	0	0	0	110.2	G179 E186 A187 F224 M240 I242	G179-I181 PolarHBondContact O-N 3.09Å; I181-E186 WeakPolarHBondContact CA-OE2 3.48Å; I181-E186 HydrophobicContact CB-CB 4.01Å; I181-E186 VanDerWaalsContact CB-OE2 3.22Å; I181-E186 WeakPolarHBondContact CB-OE2 3.23Å; I181-E186 HydrophobicContact CG2-CB 3.89Å; I181-E186 WeakPolarHBondContact CG2-OE2 3.34Å; I181-A187 HydrophobicContact CD1-CB 3.8Å; I181-F224 HydrophobicContact CD1-CD2 4.21Å; I181-F224 HydrophobicContact CD1-CE2 3.54Å; I181-F224 HydrophobicContact CD1-CZ 4.49Å; I181-F224 HydrophobicContact CG1-CE2 3.85Å; I181-F224 HydrophobicContact CG1-CZ 4.46Å; I181-M240 HydrophobicContact CG1-CB 4.07Å; I181-M240 WeakPolarHBondContact CG1-O 3.49Å; I181-M240 PolarHBondContact N-O 2.98Å; I181-M240 PolarHBondContact O-N 2.87Å; I181-I242 HydrophobicContact CD1-CB 3.79Å; I181-I242 HydrophobicContact CD1-CG2 3.61Å; I181-I242 HydrophobicContact CG1-CG2 4.43Å
182	T	87.7	Confident	86.6	Confident	102 Å²	102	49 Å²	49	63%	0.626	28%	0.277	S	S	*	.			trans	-121	-7.1	-174.1	59.4	0	0	0	0	113.8	E186 A239	T182-E186 PolarHBondContact N-OE2 3.11Å; T182-A239 HydrophobicContact CG2-CB 4.47Å
183	S	88.9	Confident	86.4	Confident	30 Å²	30	52.2 Å²	52.2	21%	0.21	29%	0.285	C	S	.	.	S	Bend	trans	-128.2	153.3	-178.1	66.8	0	0	0	0	112.3	E185 E186 A187 F224	S183-E185 WeakPolarHBondContact CB-OE2 3.3Å; S183-E185 PolarHBondContact O-N 2.96Å; S183-E186 PolarHBondContact O-N 2.86Å; S183-E186 VanDerWaalsContact OG-CG 3.24Å; S183-E186 WeakPolarHBondContact OG-CG 3.49Å; S183-E186 PolarHBondContact OG-N 3.01Å; S183-E186 PolarHBondContact OG-OE1 3.05Å; S183-A187 PolarHBondContact O-N 2.72Å; S183-F224 WeakPolarHBondContact O-CZ 3.46Å
184	S	89	Confident	86.1	Confident	14 Å²	14	55.3 Å²	55.3	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-25.4	175.2	68.1	0	0	0	0	112.4	A187 M188	S184-A187 WeakPolarHBondContact O-CB 3.28Å; S184-A187 PolarHBondContact O-N 2.88Å; S184-M188 WeakPolarHBondContact O-CB 3.3Å; S184-M188 PolarHBondContact O-N 3.34Å
185	E	88.4	Confident	86	Confident	124 Å²	124	56.6 Å²	56.6	58%	0.579	31%	0.308	S	S	*	.	H	α-helix	trans	-68.1	-43.4	178.1	-69	70.6	-163.6	0	0	111.1	S183 A187 M188 E189	S183-E185 WeakPolarHBondContact CB-OE2 3.3Å; S183-E185 PolarHBondContact O-N 2.96Å; E185-A187 VanDerWaalsContact C-N 3.34Å; E185-M188 WeakPolarHBondContact O-CB 3.47Å; E185-M188 PolarHBondContact O-N 2.69Å; E185-E189 PolarHBondContact O-N 2.78Å
186	E	88.2	Confident	86	Confident	80 Å²	80	57.8 Å²	57.8	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-42	172.3	-76.2	158.9	-139.6	0	0	111.6	I181 T182 S183 M188 E189 F190	I181-E186 WeakPolarHBondContact CA-OE2 3.48Å; I181-E186 HydrophobicContact CB-CB 4.01Å; I181-E186 VanDerWaalsContact CB-OE2 3.22Å; I181-E186 WeakPolarHBondContact CB-OE2 3.23Å; I181-E186 HydrophobicContact CG2-CB 3.89Å; I181-E186 WeakPolarHBondContact CG2-OE2 3.34Å; T182-E186 PolarHBondContact N-OE2 3.11Å; S183-E186 PolarHBondContact O-N 2.86Å; S183-E186 VanDerWaalsContact OG-CG 3.24Å; S183-E186 WeakPolarHBondContact OG-CG 3.49Å; S183-E186 PolarHBondContact OG-N 3.01Å; S183-E186 PolarHBondContact OG-OE1 3.05Å; E186-M188 VanDerWaalsContact C-N 3.33Å; E186-M188 PolarHBondContact O-N 3.49Å; E186-E189 PolarHBondContact O-N 2.98Å; E186-F190 PolarHBondContact O-N 3.34Å
187	A	87.6	Confident	86.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-40.3	175.7	0	0	0	0	0	111.8	I181 S183 S184 E185 F190 C191 I220 F224 I242	I181-A187 HydrophobicContact CD1-CB 3.8Å; S183-A187 PolarHBondContact O-N 2.72Å; S184-A187 WeakPolarHBondContact O-CB 3.28Å; S184-A187 PolarHBondContact O-N 2.88Å; E185-A187 VanDerWaalsContact C-N 3.34Å; A187-F190 PolarHBondContact O-N 2.9Å; A187-C191 PolarHBondContact O-N 3.5Å; A187-C191 VanDerWaalsContact O-N 3.07Å; A187-C191 PolarHBondContact O-SG 2.78Å; A187-I220 HydrophobicContact CB-CD1 4.08Å; A187-I220 HydrophobicContact CB-CG1 3.8Å; A187-F224 HydrophobicContact CB-CD2 3.83Å; A187-F224 HydrophobicContact CB-CE2 4.27Å; A187-I242 HydrophobicContact CB-CD1 4.11Å
188	M	89.2	Confident	86.6	Confident	54 Å²	54	58.2 Å²	58.2	27%	0.266	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-43.5	177.4	-173.3	68.8	77.7	0	0	111.9	S184 E185 E186 C191 K192 L217 I220	S184-M188 WeakPolarHBondContact O-CB 3.3Å; S184-M188 PolarHBondContact O-N 3.34Å; E185-M188 WeakPolarHBondContact O-CB 3.47Å; E185-M188 PolarHBondContact O-N 2.69Å; E186-M188 VanDerWaalsContact C-N 3.33Å; E186-M188 PolarHBondContact O-N 3.49Å; M188-C191 WeakPolarHBondContact O-CB 3.34Å; M188-C191 PolarHBondContact O-N 3.38Å; M188-K192 PolarHBondContact O-N 3.39Å; M188-K192 VanDerWaalsContact O-N 3.08Å; M188-L217 HydrophobicContact CE-CG 4.46Å; M188-L217 HydrophobicContact SD-CD1 3.54Å; M188-L217 VanDerWaalsContact SD-CD1 3.54Å; M188-L217 HydrophobicContact SD-CD2 4.02Å; M188-L217 HydrophobicContact SD-CG 3.5Å; M188-L217 VanDerWaalsContact SD-CG 3.5Å; M188-I220 HydrophobicContact CB-CG2 4.48Å; M188-I220 HydrophobicContact CE-CG2 3.16Å; M188-I220 HydrophobicContact SD-CG2 3.74Å
189	E	88.1	Confident	87.3	Confident	105 Å²	105	52.1 Å²	52.1	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-39.7	178.7	-165.5	57.1	-149.8	0	0	111.5	E185 E186 C191 K192 Q193	E185-E189 PolarHBondContact O-N 2.78Å; E186-E189 PolarHBondContact O-N 2.98Å; E189-C191 VanDerWaalsContact C-N 3.32Å; E189-C191 PolarHBondContact O-N 2.85Å; E189-K192 PolarHBondContact O-N 3.25Å; E189-K192 IonicContact OE2-NZ 2.64Å; E189-K192 PolarHBondContact OE2-NZ 3.11Å; E189-Q193 PolarHBondContact O-N 2.94Å
190	F	88.5	Confident	87.8	Confident	12 Å²	12	51.1 Å²	51.1	5%	0.053	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-43.8	171.7	-176.7	-87.6	0	0	0	112.1	E186 A187 K192 Q193 Y194 V198 I242	E186-F190 PolarHBondContact O-N 3.34Å; A187-F190 PolarHBondContact O-N 2.9Å; F190-K192 VanDerWaalsContact C-N 3.3Å; F190-K192 PolarHBondContact O-N 2.97Å; F190-Q193 PolarHBondContact O-N 2.9Å; F190-Y194 HydrophobicContact CD1-CD2 4.25Å; F190-Y194 AromaticContact CD2-CD2 3.43Å; F190-Y194 HydrophobicContact CD2-CD2 3.43Å; F190-Y194 VanDerWaalsContact CD2-CD2 3.43Å; F190-Y194 AromaticContact CD2-CE2 3.65Å; F190-Y194 HydrophobicContact CD2-CE2 3.65Å; F190-Y194 HydrophobicContact CE1-CD2 4.05Å; F190-Y194 HydrophobicContact CE1-CG 4.34Å; F190-Y194 AromaticContact CE2-CD2 3.15Å; F190-Y194 HydrophobicContact CE2-CD2 3.15Å; F190-Y194 AromaticContact CE2-CE2 3.38Å; F190-Y194 HydrophobicContact CE2-CE2 3.38Å; F190-Y194 AromaticContact CE2-CG 3.96Å; F190-Y194 HydrophobicContact CE2-CG 3.96Å; F190-Y194 AromaticContact CG-CD2 3.96Å; F190-Y194 HydrophobicContact CG-CD2 3.96Å; F190-Y194 AromaticContact CZ-CD2 3.51Å; F190-Y194 HydrophobicContact CZ-CD2 3.51Å; F190-Y194 HydrophobicContact CZ-CE2 4.13Å; F190-Y194 AromaticContact CZ-CG 3.87Å; F190-Y194 HydrophobicContact CZ-CG 3.87Å; F190-Y194 PolarHBondContact O-N 3.22Å; F190-V198 HydrophobicContact CD1-CG1 4.11Å; F190-V198 HydrophobicContact CE1-CG1 3.96Å; F190-I242 HydrophobicContact CB-CD1 4.2Å; F190-I242 HydrophobicContact CB-CG2 3.87Å; F190-I242 HydrophobicContact CD1-CB 4.23Å; F190-I242 HydrophobicContact CD1-CD1 3.55Å; F190-I242 HydrophobicContact CD1-CG1 3.57Å; F190-I242 HydrophobicContact CD1-CG2 3.69Å; F190-I242 HydrophobicContact CD2-CG2 3.83Å; F190-I242 HydrophobicContact CE1-CD1 4.32Å; F190-I242 HydrophobicContact CE1-CG1 3.88Å; F190-I242 HydrophobicContact CE1-CG2 4.2Å; F190-I242 HydrophobicContact CE2-CG2 4.33Å; F190-I242 HydrophobicContact CG-CB 4.49Å; F190-I242 HydrophobicContact CG-CD1 4.14Å; F190-I242 HydrophobicContact CG-CG1 4.25Å; F190-I242 HydrophobicContact CG-CG2 3.49Å; F190-I242 VanDerWaalsContact CG-CG2 3.49Å; F190-I242 HydrophobicContact CZ-CG2 4.5Å
191	C	88.2	Confident	87.9	Confident	5 Å²	5	51 Å²	51	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-36.1	177.4	-66.7	0	0	0	0	112.5	A187 M188 E189 G195 L196 L217	A187-C191 PolarHBondContact O-N 3.5Å; A187-C191 VanDerWaalsContact O-N 3.07Å; A187-C191 PolarHBondContact O-SG 2.78Å; M188-C191 WeakPolarHBondContact O-CB 3.34Å; M188-C191 PolarHBondContact O-N 3.38Å; E189-C191 VanDerWaalsContact C-N 3.32Å; E189-C191 PolarHBondContact O-N 2.85Å; C191-G195 WeakPolarHBondContact O-CA 3.33Å; C191-G195 PolarHBondContact O-N 3.38Å; C191-L196 HydrophobicContact CB-CD2 4.35Å; C191-L217 HydrophobicContact CB-CD1 3.65Å
192	K	86.9	Confident	87.7	Confident	135 Å²	135	50.9 Å²	50.9	59%	0.587	26%	0.258	S	S	*	.	H	α-helix	trans	-68.2	-37.7	175.1	-69.3	175.3	-170.6	163.9	0	112.3	M188 E189 F190	M188-K192 PolarHBondContact O-N 3.39Å; M188-K192 VanDerWaalsContact O-N 3.08Å; E189-K192 PolarHBondContact O-N 3.25Å; E189-K192 IonicContact OE2-NZ 2.64Å; E189-K192 PolarHBondContact OE2-NZ 3.11Å; F190-K192 VanDerWaalsContact C-N 3.3Å; F190-K192 PolarHBondContact O-N 2.97Å
193	Q	87	Confident	87.2	Confident	134 Å²	134	47.2 Å²	47.2	63%	0.626	24%	0.238	S	C	*	.	H	α-helix	trans	-76	-43.8	-177.8	-174.3	178.6	3.6	0	0	113.1	E189 F190	E189-Q193 PolarHBondContact O-N 2.94Å; F190-Q193 PolarHBondContact O-N 2.9Å
194	Y	83.8	Confident	86.2	Confident	89 Å²	89	53 Å²	53	35%	0.349	26%	0.256	S	S	.	.	H	α-helix	trans	-108.1	-8.4	-171.2	-65.1	-78.6	0	0	0	114.6	P175 F190	P175-Y194 HydrophobicContact CB-CD1 3.67Å; P175-Y194 HydrophobicContact CB-CE1 3.88Å; P175-Y194 HydrophobicContact CB-CG 4.36Å; F190-Y194 HydrophobicContact CD1-CD2 4.25Å; F190-Y194 AromaticContact CD2-CD2 3.43Å; F190-Y194 HydrophobicContact CD2-CD2 3.43Å; F190-Y194 VanDerWaalsContact CD2-CD2 3.43Å; F190-Y194 AromaticContact CD2-CE2 3.65Å; F190-Y194 HydrophobicContact CD2-CE2 3.65Å; F190-Y194 HydrophobicContact CE1-CD2 4.05Å; F190-Y194 HydrophobicContact CE1-CG 4.34Å; F190-Y194 AromaticContact CE2-CD2 3.15Å; F190-Y194 HydrophobicContact CE2-CD2 3.15Å; F190-Y194 AromaticContact CE2-CE2 3.38Å; F190-Y194 HydrophobicContact CE2-CE2 3.38Å; F190-Y194 AromaticContact CE2-CG 3.96Å; F190-Y194 HydrophobicContact CE2-CG 3.96Å; F190-Y194 AromaticContact CG-CD2 3.96Å; F190-Y194 HydrophobicContact CG-CD2 3.96Å; F190-Y194 AromaticContact CZ-CD2 3.51Å; F190-Y194 HydrophobicContact CZ-CD2 3.51Å; F190-Y194 HydrophobicContact CZ-CE2 4.13Å; F190-Y194 AromaticContact CZ-CG 3.87Å; F190-Y194 HydrophobicContact CZ-CG 3.87Å; F190-Y194 PolarHBondContact O-N 3.22Å
195	G	86.3	Confident	84.8	Confident	30 Å²	30	52.9 Å²	52.9	31%	0.309	26%	0.258	S	S	.	.			trans	79.6	178.5	-177.7	0	0	0	0	0	113.7	C191 V198	C191-G195 WeakPolarHBondContact O-CA 3.33Å; C191-G195 PolarHBondContact O-N 3.38Å; G195-V198 VanDerWaalsContact O-CG1 3.3Å; G195-V198 WeakPolarHBondContact O-CG1 3.3Å
196	L	86.1	Confident	83.2	Confident	61 Å²	61	49.2 Å²	49.2	32%	0.319	25%	0.253	S	S	.	.	S	Bend	trans	-106.8	158.7	175.1	-69	164.7	0	0	0	109.8	C191 V198 L217	C191-L196 HydrophobicContact CB-CD2 4.35Å; L196-V198 HydrophobicContact CD2-CG1 4.31Å; L196-V198 HydrophobicContact CD2-CG2 3.92Å; L196-L217 HydrophobicContact CD1-CB 4.08Å; L196-L217 HydrophobicContact CD1-CD1 4.28Å
197	P	90.7	Very high	81.5	Confident	21 Å²	21	49.3 Å²	49.3	14%	0.136	28%	0.276	C	S	.	.			cis	-76.8	155.7	-3.2	31.9	-34.9	0	0	0	113.2	V213 V214 R215 F245 E247	P197-V213 HydrophobicContact CB-CG1 4.48Å; P197-V214 WeakPolarHBondContact CA-O 3.36Å; P197-R215 HydrophobicContact CB-CG 4.24Å; P197-F245 HydrophobicContact CB-CB 4.12Å; P197-F245 HydrophobicContact CB-CD1 4.21Å; P197-F245 HydrophobicContact CG-CB 4.12Å; P197-F245 HydrophobicContact CG-CD1 3.91Å; P197-F245 PolarHBondContact O-N 3.14Å; P197-E247 HydrophobicContact CG-CG 3.8Å
198	V	90.5	Very high	80.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.5	174.9	-63.2	0	0	0	0	110.1	F190 G195 L196 V213 V214 I220 I242 E243	F190-V198 HydrophobicContact CD1-CG1 4.11Å; F190-V198 HydrophobicContact CE1-CG1 3.96Å; G195-V198 VanDerWaalsContact O-CG1 3.3Å; G195-V198 WeakPolarHBondContact O-CG1 3.3Å; L196-V198 HydrophobicContact CD2-CG1 4.31Å; L196-V198 HydrophobicContact CD2-CG2 3.92Å; V198-V213 CarbonylContact O-C 3.32Å; V198-V213 WeakPolarHBondContact O-CA 3.38Å; V198-V214 HydrophobicContact CG2-CB 3.82Å; V198-V214 PolarHBondContact N-O 3.37Å; V198-V214 PolarHBondContact O-N 3.1Å; V198-I220 HydrophobicContact CG2-CD1 4.09Å; V198-I242 HydrophobicContact CB-CD1 4.04Å; V198-I242 HydrophobicContact CB-CG1 3.96Å; V198-I242 HydrophobicContact CG1-CD1 4.32Å; V198-I242 HydrophobicContact CG1-CG1 4.41Å; V198-I242 HydrophobicContact CG2-CD1 3.86Å; V198-I242 HydrophobicContact CG2-CG1 4.23Å; V198-E243 CarbonylContact C-O 3.49Å; V198-E243 VanDerWaalsContact CA-O 3.25Å; V198-E243 WeakPolarHBondContact CA-O 3.4Å; V198-E243 WeakPolarHBondContact CB-O 3.25Å
199	I	89.3	Confident	78.8	Confident	13 Å²	13	57.3 Å²	57.3	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.7	171.7	-171.9	165.9	0	0	0	109.6	K201 M211 R212 V213 I242 E243 F245	I199-K201 HydrophobicContact CG1-CG 4.15Å; I199-K201 HydrophobicContact CG2-CG 4.47Å; I199-M211 HydrophobicContact CD1-CE 3.52Å; I199-M211 HydrophobicContact CG1-CE 4.41Å; I199-R212 WeakPolarHBondContact CA-O 3.45Å; I199-V213 HydrophobicContact CD1-CG2 4.08Å; I199-V213 HydrophobicContact CG1-CG2 4.25Å; I199-I242 WeakPolarHBondContact O-CA 3.41Å; I199-E243 HydrophobicContact CG2-CB 4.03Å; I199-E243 PolarHBondContact N-O 2.8Å; I199-E243 PolarHBondContact O-N 3Å; I199-F245 HydrophobicContact CB-CB 4.23Å; I199-F245 HydrophobicContact CB-CD2 3.92Å; I199-F245 HydrophobicContact CD1-CD2 4.06Å; I199-F245 HydrophobicContact CD1-CE2 4.27Å; I199-F245 HydrophobicContact CG2-CB 4.45Å; I199-F245 HydrophobicContact CG2-CD2 4.28Å
200	L	89.4	Confident	77.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.3	168.9	-61.3	170.9	0	0	0	107.9	M211 R212 V214 I220 N223 F224 M240 F241 I242	L200-M211 CarbonylContact O-C 3.56Å; L200-M211 WeakPolarHBondContact O-CA 3.02Å; L200-R212 PolarHBondContact N-O 3.38Å; L200-R212 PolarHBondContact O-N 3.47Å; L200-V214 HydrophobicContact CD1-CG2 3.84Å; L200-V214 HydrophobicContact CG-CG2 4.21Å; L200-I220 HydrophobicContact CD1-CD1 4.41Å; L200-I220 HydrophobicContact CD2-CD1 4.31Å; L200-N223 HydrophobicContact CD1-CB 4.06Å; L200-F224 HydrophobicContact CD1-CB 4.16Å; L200-F224 HydrophobicContact CD1-CD2 4.5Å; L200-F224 HydrophobicContact CD2-CD2 3.97Å; L200-M240 HydrophobicContact CB-CE 3.85Å; L200-F241 CarbonylContact C-O 3.41Å; L200-F241 WeakPolarHBondContact CA-O 3.47Å; L200-I242 HydrophobicContact CD2-CB 4.09Å; L200-I242 HydrophobicContact CD2-CD1 3.95Å; L200-I242 HydrophobicContact CD2-CG1 4.02Å
201	K	85.8	Confident	77.3	Confident	52 Å²	52	54.8 Å²	54.8	23%	0.226	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.8	178.2	-56.4	-176.3	176.5	169.7	0	109.6	I199 A203 G210 M211 M240 F241 E243	I199-K201 HydrophobicContact CG1-CG 4.15Å; I199-K201 HydrophobicContact CG2-CG 4.47Å; K201-A203 PolarHBondContact O-N 3.37Å; K201-G210 CarbonylContact C-O 3.48Å; K201-M211 HydrophobicContact CB-CG 4.15Å; K201-M211 HydrophobicContact CD-CE 4.09Å; K201-M211 HydrophobicContact CG-CE 3.99Å; K201-M211 HydrophobicContact CG-CG 4.03Å; K201-M211 HydrophobicContact CG-SD 4.32Å; K201-M240 VanDerWaalsContact C-CE 3.5Å; K201-M240 CarbonylContact O-C 3.54Å; K201-M240 WeakPolarHBondContact O-CA 3.09Å; K201-M240 WeakPolarHBondContact O-CE 3.45Å; K201-F241 PolarHBondContact N-O 3.3Å; K201-F241 PolarHBondContact O-N 3.26Å; K201-E243 WeakPolarHBondContact CE-OE2 3.3Å; K201-E243 IonicContact NZ-OE2 3.71Å; K201-E243 PolarHBondContact NZ-OE2 2.98Å
202	A	82.2	Confident	77.1	Confident	8 Å²	8	59 Å²	59	7%	0.066	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	126	171.9	0	0	0	0	0	110.3	Y204 G205 G210 A231 F235	A202-Y204 VanDerWaalsContact C-N 3.27Å; A202-Y204 PolarHBondContact O-N 3.24Å; A202-G205 PolarHBondContact O-N 3.45Å; A202-G210 PolarHBondContact N-O 3.31Å; A202-A231 HydrophobicContact CB-CB 3.69Å; A202-F235 HydrophobicContact CB-CD2 3.83Å; A202-F235 HydrophobicContact CB-CE2 3.71Å
203	A	77.5	Confident	77.2	Confident	25 Å²	25	55.3 Å²	55.3	21%	0.207	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.5	-175.9	0	0	0	0	0	112.5	P180 K201 A239 F241	P180-A203 HydrophobicContact CB-CB 3.87Å; P180-A203 HydrophobicContact CG-CB 4.07Å; K201-A203 PolarHBondContact O-N 3.37Å; A203-A239 HydrophobicContact CB-CB 4.26Å; A203-A239 WeakPolarHBondContact CB-O 3.28Å; A203-A239 PolarHBondContact N-O 2.98Å; A203-F241 HydrophobicContact CB-CB 4.41Å
204	Y	68.4	Low	77.3	Confident	150 Å²	150	49 Å²	49	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	17.7	-179.4	-58.4	-81.8	0	0	0	112.4	P180 A202 N237 A239	P180-Y204 HydrophobicContact CG-CE2 4.41Å; A202-Y204 VanDerWaalsContact C-N 3.27Å; A202-Y204 PolarHBondContact O-N 3.24Å; Y204-N237 HydrophobicContact CD2-CB 4.25Å; Y204-N237 VanDerWaalsContact CD2-ND2 3.26Å; Y204-N237 WeakPolarHBondContact CD2-ND2 3.26Å; Y204-N237 WeakPolarHBondContact CE2-ND2 3.27Å; Y204-A239 HydrophobicContact CD2-CB 4.2Å; Y204-A239 HydrophobicContact CE2-CB 3.96Å
205	G	58.8	Low	77.6	Confident	13 Å²	13	51.7 Å²	51.7	13%	0.134	29%	0.292	C	S	.	.			trans	-113.9	148.2	-174.2	0	0	0	0	0	113.9	A202	A202-G205 PolarHBondContact O-N 3.45Å
206	G	54.8	Low	77.8	Confident	47 Å²	47	55.6 Å²	55.6	49%	0.485	30%	0.3	S	S	.	.			trans	-129.7	163.6	175.9	0	0	0	0	0	112	F235	G206-F235 WeakPolarHBondContact O-CZ 3.24Å
207	G	53.2	Low	77.8	Confident	82 Å²	82	56.4 Å²	56.4	85%	0.845	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	24	172.8	0	0	0	0	0	116.2	R209	G207-R209 VanDerWaalsContact C-N 3.31Å; G207-R209 PolarHBondContact O-N 2.95Å
208	G	57.2	Low	77.8	Confident	51 Å²	51	62.1 Å²	62.1	53%	0.526	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-2.2	170.4	0	0	0	0	0	116.5
209	R	62.4	Low	77.8	Confident	171 Å²	171	64.5 Å²	64.5	65%	0.645	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	146.2	173.4	-52	-165.2	-149.2	-168.5	6.7	111	G207 M211 F235	G207-R209 VanDerWaalsContact C-N 3.31Å; G207-R209 PolarHBondContact O-N 2.95Å; R209-M211 VanDerWaalsContact C-N 3.34Å; R209-F235 HydrophobicContact CB-CE2 4.39Å; R209-F235 HydrophobicContact CB-CZ 4.03Å
210	G	67.1	Low	77.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	34.7	-173.7	0	0	0	0	0	112.9	K201 A202 E230	K201-G210 CarbonylContact C-O 3.48Å; A202-G210 PolarHBondContact N-O 3.31Å; G210-E230 PolarHBondContact N-OE1 2.92Å
211	M	78.8	Confident	77.8	Confident	63 Å²	63	69.1 Å²	69.1	31%	0.31	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.1	174.4	-68.1	-179.6	52.8	0	0	111	I199 L200 K201 R209	I199-M211 HydrophobicContact CD1-CE 3.52Å; I199-M211 HydrophobicContact CG1-CE 4.41Å; L200-M211 CarbonylContact O-C 3.56Å; L200-M211 WeakPolarHBondContact O-CA 3.02Å; K201-M211 HydrophobicContact CB-CG 4.15Å; K201-M211 HydrophobicContact CD-CE 4.09Å; K201-M211 HydrophobicContact CG-CE 3.99Å; K201-M211 HydrophobicContact CG-CG 4.03Å; K201-M211 HydrophobicContact CG-SD 4.32Å; R209-M211 VanDerWaalsContact C-N 3.34Å
212	R	84.2	Confident	78	Confident	95 Å²	95	72.4 Å²	72.4	36%	0.358	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.4	176.6	-69.5	-160.6	179.2	-108.7	-6.4	112.4	I199 L200 N223 A227 E230	I199-R212 WeakPolarHBondContact CA-O 3.45Å; L200-R212 PolarHBondContact N-O 3.38Å; L200-R212 PolarHBondContact O-N 3.47Å; R212-N223 HydrophobicContact CB-CB 4.46Å; R212-N223 VanDerWaalsContact CD-OD1 3.28Å; R212-N223 WeakPolarHBondContact CD-OD1 3.45Å; R212-A227 HydrophobicContact CG-CB 4.22Å; R212-E230 IonicContact NH2-OE2 3.07Å
213	V	87.1	Confident	78.4	Confident	56 Å²	56	73.3 Å²	73.3	34%	0.339	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128.4	171.5	-177	0	0	0	0	108.8	P197 V198 I199 R215 F245	P197-V213 HydrophobicContact CB-CG1 4.48Å; V198-V213 CarbonylContact O-C 3.32Å; V198-V213 WeakPolarHBondContact O-CA 3.38Å; I199-V213 HydrophobicContact CD1-CG2 4.08Å; I199-V213 HydrophobicContact CG1-CG2 4.25Å; V213-R215 HydrophobicContact CG1-CG 4.26Å; V213-F245 HydrophobicContact CG1-CB 4.43Å; V213-F245 HydrophobicContact CG1-CD1 3.73Å; V213-F245 HydrophobicContact CG1-CD2 4.24Å; V213-F245 HydrophobicContact CG1-CE1 3.98Å; V213-F245 HydrophobicContact CG1-CE2 4.45Å; V213-F245 HydrophobicContact CG1-CG 3.87Å; V213-F245 HydrophobicContact CG1-CZ 4.33Å; V213-F245 HydrophobicContact CG2-CD2 3.78Å; V213-F245 HydrophobicContact CG2-CE1 4.36Å; V213-F245 HydrophobicContact CG2-CE2 3.55Å; V213-F245 HydrophobicContact CG2-CG 4.27Å; V213-F245 HydrophobicContact CG2-CZ 3.87Å
214	V	89.7	Confident	79.1	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.006	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.1	178.3	-175.7	0	0	0	0	108.3	P197 V198 L200 K216 D219 I220 N223	P197-V214 WeakPolarHBondContact CA-O 3.36Å; V198-V214 HydrophobicContact CG2-CB 3.82Å; V198-V214 PolarHBondContact N-O 3.37Å; V198-V214 PolarHBondContact O-N 3.1Å; L200-V214 HydrophobicContact CD1-CG2 3.84Å; L200-V214 HydrophobicContact CG-CG2 4.21Å; V214-K216 VanDerWaalsContact CG1-O 3.28Å; V214-K216 WeakPolarHBondContact CG1-O 3.3Å; V214-D219 HydrophobicContact CG1-CB 4.08Å; V214-I220 HydrophobicContact CB-CD1 4.13Å; V214-I220 HydrophobicContact CG1-CB 4.2Å; V214-I220 HydrophobicContact CG1-CD1 3.95Å; V214-I220 HydrophobicContact CG2-CD1 4Å; V214-N223 HydrophobicContact CG2-CB 3.67Å
215	R	90.3	Very high	80.1	Confident	147 Å²	147	70.4 Å²	70.4	56%	0.555	37%	0.368	S	S	*	.			trans	-103.4	-21.1	-175.5	-66.5	-179.1	170.9	-80.4	-0.6	113.3	P197 V213 E247	P197-R215 HydrophobicContact CB-CG 4.24Å; V213-R215 HydrophobicContact CG1-CG 4.26Å; R215-E247 IonicContact CZ-OE1 2.7Å; R215-E247 IonicContact NH1-OE1 3.14Å; R215-E247 PolarHBondContact NH1-OE1 2.97Å; R215-E247 IonicContact NH2-OE1 2.75Å
216	K	89.7	Confident	81.4	Confident	112 Å²	112	73.5 Å²	73.5	49%	0.487	38%	0.382	S	S	.	.	S	Bend	trans	-126.1	147.5	179.9	-53.5	-177.4	-180	175.6	0	110.9	V214 E218 D219	V214-K216 VanDerWaalsContact CG1-O 3.28Å; V214-K216 WeakPolarHBondContact CG1-O 3.3Å; K216-E218 VanDerWaalsContact C-N 3.27Å; K216-E218 HydrophobicContact CB-CG 3.85Å; K216-E218 HydrophobicContact CD-CG 4.07Å; K216-E218 WeakPolarHBondContact CD-OE1 3.37Å; K216-E218 IonicContact NZ-OE1 2.61Å; K216-E218 PolarHBondContact NZ-OE1 2.92Å; K216-E218 PolarHBondContact O-N 3.24Å; K216-D219 WeakPolarHBondContact CB-OD2 3.49Å; K216-D219 PolarHBondContact O-N 3.39Å
217	L	87.7	Confident	82.9	Confident	78 Å²	78	71.2 Å²	71.2	41%	0.408	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-65.4	-32.9	-178.3	-158.8	73.6	0	0	0	112	M188 C191 L196 D219 I220	M188-L217 HydrophobicContact CE-CG 4.46Å; M188-L217 HydrophobicContact SD-CD1 3.54Å; M188-L217 VanDerWaalsContact SD-CD1 3.54Å; M188-L217 HydrophobicContact SD-CD2 4.02Å; M188-L217 HydrophobicContact SD-CG 3.5Å; M188-L217 VanDerWaalsContact SD-CG 3.5Å; C191-L217 HydrophobicContact CB-CD1 3.65Å; L196-L217 HydrophobicContact CD1-CB 4.08Å; L196-L217 HydrophobicContact CD1-CD1 4.28Å; L217-D219 PolarHBondContact O-N 2.92Å; L217-I220 VanDerWaalsContact O-CG2 3.25Å; L217-I220 WeakPolarHBondContact O-CG2 3.43Å; L217-I220 PolarHBondContact O-N 2.9Å
218	E	89.6	Confident	84.6	Confident	141 Å²	141	68.6 Å²	68.6	66%	0.659	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27.7	176.6	59.9	-170.7	-176.2	0	0	113.4	K216	K216-E218 VanDerWaalsContact C-N 3.27Å; K216-E218 HydrophobicContact CB-CG 3.85Å; K216-E218 HydrophobicContact CD-CG 4.07Å; K216-E218 WeakPolarHBondContact CD-OE1 3.37Å; K216-E218 IonicContact NZ-OE1 2.61Å; K216-E218 PolarHBondContact NZ-OE1 2.92Å; K216-E218 PolarHBondContact O-N 3.24Å
219	D	90.4	Very high	86	Confident	49 Å²	49	69.8 Å²	69.8	26%	0.262	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-89.1	-10.2	-173.1	-65.6	-31.6	0	0	0	113.3	V214 K216 L217 K221 N223	V214-D219 HydrophobicContact CG1-CB 4.08Å; K216-D219 WeakPolarHBondContact CB-OD2 3.49Å; K216-D219 PolarHBondContact O-N 3.39Å; L217-D219 PolarHBondContact O-N 2.92Å; D219-K221 PolarHBondContact O-N 3.21Å; D219-N223 WeakPolarHBondContact CB-ND2 3.37Å; D219-N223 WeakPolarHBondContact O-CB 3.42Å; D219-N223 PolarHBondContact O-N 3.31Å; D219-N223 PolarHBondContact O-ND2 2.97Å
220	I	90.2	Very high	87	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-41.8	-170.9	-166.7	63.4	0	0	0	112	A187 M188 V198 L200 V214 L217 F224 I242	A187-I220 HydrophobicContact CB-CD1 4.08Å; A187-I220 HydrophobicContact CB-CG1 3.8Å; M188-I220 HydrophobicContact CB-CG2 4.48Å; M188-I220 HydrophobicContact CE-CG2 3.16Å; M188-I220 HydrophobicContact SD-CG2 3.74Å; V198-I220 HydrophobicContact CG2-CD1 4.09Å; L200-I220 HydrophobicContact CD1-CD1 4.41Å; L200-I220 HydrophobicContact CD2-CD1 4.31Å; V214-I220 HydrophobicContact CB-CD1 4.13Å; V214-I220 HydrophobicContact CG1-CB 4.2Å; V214-I220 HydrophobicContact CG1-CD1 3.95Å; V214-I220 HydrophobicContact CG2-CD1 4Å; L217-I220 VanDerWaalsContact O-CG2 3.25Å; L217-I220 WeakPolarHBondContact O-CG2 3.43Å; L217-I220 PolarHBondContact O-N 2.9Å; I220-F224 WeakPolarHBondContact O-CB 3.49Å; I220-F224 PolarHBondContact O-N 3.28Å; I220-I242 HydrophobicContact CD1-CD1 4.21Å
221	K	88.8	Confident	87.5	Confident	111 Å²	111	65 Å²	65	48%	0.483	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-51.6	-177.6	-176.2	174.4	-178.2	176	0	110.9	D219 F224 E225	D219-K221 PolarHBondContact O-N 3.21Å; K221-F224 PolarHBondContact O-N 3.21Å; K221-E225 VanDerWaalsContact CE-OE1 3.3Å; K221-E225 WeakPolarHBondContact CE-OE1 3.33Å; K221-E225 WeakPolarHBondContact O-CG 3.23Å; K221-E225 PolarHBondContact O-N 2.83Å; K221-E225 VanDerWaalsContact O-N 3.07Å
222	Q	90.4	Very high	87.7	Confident	121 Å²	121	66.7 Å²	66.7	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-62.6	-46.2	179.5	-174.8	-176.8	5	0	0	111.9	F224 E225 L226	Q222-F224 VanDerWaalsContact C-N 3.34Å; Q222-F224 PolarHBondContact O-N 3.05Å; Q222-E225 PolarHBondContact O-N 3.39Å; Q222-L226 HydrophobicContact CG-CD1 4.09Å; Q222-L226 WeakPolarHBondContact O-CB 3.34Å; Q222-L226 VanDerWaalsContact O-CG 3.31Å; Q222-L226 WeakPolarHBondContact O-CG 3.43Å; Q222-L226 PolarHBondContact O-N 2.93Å
223	N	90	Very high	87.4	Confident	26 Å²	26	66.5 Å²	66.5	14%	0.139	34%	0.341	C	S	.	.	H	α-helix	trans	-69.4	-32.6	-179.6	-78.1	-67.1	0	0	0	112.7	L200 R212 V214 D219 A227	L200-N223 HydrophobicContact CD1-CB 4.06Å; R212-N223 HydrophobicContact CB-CB 4.46Å; R212-N223 VanDerWaalsContact CD-OD1 3.28Å; R212-N223 WeakPolarHBondContact CD-OD1 3.45Å; V214-N223 HydrophobicContact CG2-CB 3.67Å; D219-N223 WeakPolarHBondContact CB-ND2 3.37Å; D219-N223 WeakPolarHBondContact O-CB 3.42Å; D219-N223 PolarHBondContact O-N 3.31Å; D219-N223 PolarHBondContact O-ND2 2.97Å; N223-A227 WeakPolarHBondContact O-CB 3.42Å; N223-A227 PolarHBondContact O-N 3.46Å
224	F	91.6	Very high	86.5	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-50.7	173.7	-173.6	-87.3	0	0	0	111.5	I181 S183 A187 L200 I220 K221 Q222 L226 A227 S228 M240	I181-F224 HydrophobicContact CD1-CD2 4.21Å; I181-F224 HydrophobicContact CD1-CE2 3.54Å; I181-F224 HydrophobicContact CD1-CZ 4.49Å; I181-F224 HydrophobicContact CG1-CE2 3.85Å; I181-F224 HydrophobicContact CG1-CZ 4.46Å; S183-F224 WeakPolarHBondContact O-CZ 3.46Å; A187-F224 HydrophobicContact CB-CD2 3.83Å; A187-F224 HydrophobicContact CB-CE2 4.27Å; L200-F224 HydrophobicContact CD1-CB 4.16Å; L200-F224 HydrophobicContact CD1-CD2 4.5Å; L200-F224 HydrophobicContact CD2-CD2 3.97Å; I220-F224 WeakPolarHBondContact O-CB 3.49Å; I220-F224 PolarHBondContact O-N 3.28Å; K221-F224 PolarHBondContact O-N 3.21Å; Q222-F224 VanDerWaalsContact C-N 3.34Å; Q222-F224 PolarHBondContact O-N 3.05Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 2.98Å; F224-A227 PolarHBondContact O-N 3.37Å; F224-S228 WeakPolarHBondContact O-CB 3.44Å; F224-S228 PolarHBondContact O-N 3.08Å; F224-M240 HydrophobicContact CD2-CB 4.32Å; F224-M240 HydrophobicContact CD2-CG 4.28Å; F224-M240 HydrophobicContact CE2-CB 3.56Å; F224-M240 HydrophobicContact CE2-CG 3.76Å; F224-M240 HydrophobicContact CZ-CB 4.01Å; F224-M240 HydrophobicContact CZ-CG 3.94Å
225	E	89.3	Confident	85.8	Confident	107 Å²	107	69.3 Å²	69.3	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-60.1	-43.6	178.5	-70.9	170.5	-174.5	0	0	111.8	K221 Q222 S229	K221-E225 VanDerWaalsContact CE-OE1 3.3Å; K221-E225 WeakPolarHBondContact CE-OE1 3.33Å; K221-E225 WeakPolarHBondContact O-CG 3.23Å; K221-E225 PolarHBondContact O-N 2.83Å; K221-E225 VanDerWaalsContact O-N 3.07Å; Q222-E225 PolarHBondContact O-N 3.39Å; E225-S229 VanDerWaalsContact O-CB 3.25Å; E225-S229 WeakPolarHBondContact O-CB 3.04Å; E225-S229 PolarHBondContact O-N 3.27Å
226	L	87.4	Confident	85.1	Confident	78 Å²	78	65.2 Å²	65.2	41%	0.408	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-48.7	176.9	-73.6	171.4	0	0	0	112.4	Q222 F224 S229 E230	Q222-L226 HydrophobicContact CG-CD1 4.09Å; Q222-L226 WeakPolarHBondContact O-CB 3.34Å; Q222-L226 VanDerWaalsContact O-CG 3.31Å; Q222-L226 WeakPolarHBondContact O-CG 3.43Å; Q222-L226 PolarHBondContact O-N 2.93Å; F224-L226 VanDerWaalsContact C-N 3.34Å; F224-L226 PolarHBondContact O-N 2.98Å; L226-S229 PolarHBondContact O-N 3.25Å; L226-E230 WeakPolarHBondContact O-CB 3.3Å; L226-E230 PolarHBondContact O-N 3.01Å
227	A	86.5	Confident	84.5	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-36.1	-178.5	0	0	0	0	0	111.8	R212 N223 F224 E230 A231 M240	R212-A227 HydrophobicContact CG-CB 4.22Å; N223-A227 WeakPolarHBondContact O-CB 3.42Å; N223-A227 PolarHBondContact O-N 3.46Å; F224-A227 PolarHBondContact O-N 3.37Å; A227-E230 PolarHBondContact O-N 2.94Å; A227-A231 VanDerWaalsContact O-CB 3.26Å; A227-A231 WeakPolarHBondContact O-CB 3.44Å; A227-A231 PolarHBondContact O-N 3.3Å; A227-M240 HydrophobicContact CB-CE 3.44Å; A227-M240 VanDerWaalsContact CB-CE 3.44Å; A227-M240 HydrophobicContact CB-SD 4.27Å
228	S	88	Confident	84.2	Confident	27 Å²	27	59.9 Å²	59.9	19%	0.189	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-44.2	174.6	-178.9	0	0	0	0	111.7	F224 A231 L232 G238	F224-S228 WeakPolarHBondContact O-CB 3.44Å; F224-S228 PolarHBondContact O-N 3.08Å; S228-A231 PolarHBondContact O-N 3.08Å; S228-L232 WeakPolarHBondContact O-CB 3.41Å; S228-L232 PolarHBondContact O-N 2.76Å; S228-G238 WeakPolarHBondContact CB-O 3.47Å; S228-G238 WeakPolarHBondContact O-CA 3.36Å; S228-G238 PolarHBondContact OG-O 2.75Å
229	S	86.5	Confident	84	Confident	76 Å²	76	53.6 Å²	53.6	53%	0.531	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175.4	-176.2	0	0	0	0	111.8	E225 L226 L232 A233	E225-S229 VanDerWaalsContact O-CB 3.25Å; E225-S229 WeakPolarHBondContact O-CB 3.04Å; E225-S229 PolarHBondContact O-N 3.27Å; L226-S229 PolarHBondContact O-N 3.25Å; S229-L232 PolarHBondContact O-N 3.44Å; S229-A233 WeakPolarHBondContact O-CB 3.27Å; S229-A233 PolarHBondContact O-N 2.89Å
230	E	83.7	Confident	83.9	Confident	69 Å²	69	51.2 Å²	51.2	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-43.3	175	-169	-175.4	149.6	0	0	111.8	G210 R212 L226 A227 A233 A234	G210-E230 PolarHBondContact N-OE1 2.92Å; R212-E230 IonicContact NH2-OE2 3.07Å; L226-E230 WeakPolarHBondContact O-CB 3.3Å; L226-E230 PolarHBondContact O-N 3.01Å; A227-E230 PolarHBondContact O-N 2.94Å; E230-A233 PolarHBondContact O-N 3.43Å; E230-A234 VanDerWaalsContact O-CB 3.23Å; E230-A234 WeakPolarHBondContact O-CB 3.33Å; E230-A234 PolarHBondContact O-N 3.17Å
231	A	78.3	Confident	83.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-41	175.7	0	0	0	0	0	112	A202 A227 S228 A234 F235 N237 M240	A202-A231 HydrophobicContact CB-CB 3.69Å; A227-A231 VanDerWaalsContact O-CB 3.26Å; A227-A231 WeakPolarHBondContact O-CB 3.44Å; A227-A231 PolarHBondContact O-N 3.3Å; S228-A231 PolarHBondContact O-N 3.08Å; A231-A234 PolarHBondContact O-N 3Å; A231-F235 HydrophobicContact CB-CD2 4.2Å; A231-F235 WeakPolarHBondContact O-CA 3.38Å; A231-F235 WeakPolarHBondContact O-CB 3.25Å; A231-F235 WeakPolarHBondContact O-CD2 3.41Å; A231-F235 PolarHBondContact O-N 3.3Å; A231-N237 CarbonylContact C-O 3.59Å; A231-M240 HydrophobicContact CB-SD 4.02Å
232	L	82.6	Confident	83.7	Confident	100 Å²	100	47.2 Å²	47.2	52%	0.524	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-45.8	174.8	-176.1	67.3	0	0	0	111.2	S228 S229 G236	S228-L232 WeakPolarHBondContact O-CB 3.41Å; S228-L232 PolarHBondContact O-N 2.76Å; S229-L232 PolarHBondContact O-N 3.44Å; L232-G236 WeakPolarHBondContact O-CA 3.09Å; L232-G236 PolarHBondContact O-N 2.97Å
233	A	77.6	Confident	83.5	Confident	90 Å²	90	42.5 Å²	42.5	74%	0.744	26%	0.262	S	S	*	.	H	α-helix	trans	-67.3	-36.4	178.2	0	0	0	0	0	112.9	S229 E230	S229-A233 WeakPolarHBondContact O-CB 3.27Å; S229-A233 PolarHBondContact O-N 2.89Å; E230-A233 PolarHBondContact O-N 3.43Å
234	A	68.7	Low	83.5	Confident	49 Å²	49	45 Å²	45	41%	0.405	27%	0.271	S	S	.	.	H	α-helix	trans	-86.5	-35.9	-175.3	0	0	0	0	0	114	E230 A231	E230-A234 VanDerWaalsContact O-CB 3.23Å; E230-A234 WeakPolarHBondContact O-CB 3.33Å; E230-A234 PolarHBondContact O-N 3.17Å; A231-A234 PolarHBondContact O-N 3Å
235	F	74.5	Confident	83.2	Confident	67 Å²	67	46.2 Å²	46.2	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-124.7	-1.1	-169.4	-48.3	-63.8	0	0	0	113.3	A202 G206 R209 A231 N237	A202-F235 HydrophobicContact CB-CD2 3.83Å; A202-F235 HydrophobicContact CB-CE2 3.71Å; G206-F235 WeakPolarHBondContact O-CZ 3.24Å; R209-F235 HydrophobicContact CB-CE2 4.39Å; R209-F235 HydrophobicContact CB-CZ 4.03Å; A231-F235 HydrophobicContact CB-CD2 4.2Å; A231-F235 WeakPolarHBondContact O-CA 3.38Å; A231-F235 WeakPolarHBondContact O-CB 3.25Å; A231-F235 WeakPolarHBondContact O-CD2 3.41Å; A231-F235 PolarHBondContact O-N 3.3Å; F235-N237 PolarHBondContact O-N 2.84Å
236	G	75.2	Confident	83	Confident	62 Å²	62	41.8 Å²	41.8	64%	0.639	26%	0.256	S	S	*	.	S	Bend	trans	74.6	2.1	-178	0	0	0	0	0	114.3	L232	L232-G236 WeakPolarHBondContact O-CA 3.09Å; L232-G236 PolarHBondContact O-N 2.97Å
237	N	77.8	Confident	82.8	Confident	64 Å²	64	42.2 Å²	42.2	34%	0.342	26%	0.256	S	S	.	.			trans	-140.6	120.1	-178.9	-170	-24.3	0	0	0	110.3	Y204 A231 F235 A239	Y204-N237 HydrophobicContact CD2-CB 4.25Å; Y204-N237 VanDerWaalsContact CD2-ND2 3.26Å; Y204-N237 WeakPolarHBondContact CD2-ND2 3.26Å; Y204-N237 WeakPolarHBondContact CE2-ND2 3.27Å; A231-N237 CarbonylContact C-O 3.59Å; F235-N237 PolarHBondContact O-N 2.84Å; N237-A239 VanDerWaalsContact C-N 3.3Å; N237-A239 PolarHBondContact O-N 2.79Å; N237-A239 WeakPolarHBondContact OD1-CB 3.32Å; N237-A239 PolarHBondContact OD1-N 3.39Å
238	G	81.9	Confident	82.7	Confident	13 Å²	13	48 Å²	48	13%	0.134	28%	0.278	C	S	.	.			trans	-84.3	4.5	-179.5	0	0	0	0	0	114.8	S228 M240	S228-G238 WeakPolarHBondContact CB-O 3.47Å; S228-G238 WeakPolarHBondContact O-CA 3.36Å; S228-G238 PolarHBondContact OG-O 2.75Å; G238-M240 PolarHBondContact O-N 3.36Å
239	A	85.1	Confident	82.8	Confident	9 Å²	9	47 Å²	47	7%	0.074	27%	0.271	C	S	.	.			trans	-64.3	132.2	177.4	0	0	0	0	0	110.9	P180 T182 A203 Y204 N237	P180-A239 HydrophobicContact CB-CB 4.13Å; T182-A239 HydrophobicContact CG2-CB 4.47Å; A203-A239 HydrophobicContact CB-CB 4.26Å; A203-A239 WeakPolarHBondContact CB-O 3.28Å; A203-A239 PolarHBondContact N-O 2.98Å; Y204-A239 HydrophobicContact CD2-CB 4.2Å; Y204-A239 HydrophobicContact CE2-CB 3.96Å; N237-A239 VanDerWaalsContact C-N 3.3Å; N237-A239 PolarHBondContact O-N 2.79Å; N237-A239 WeakPolarHBondContact OD1-CB 3.32Å; N237-A239 PolarHBondContact OD1-N 3.39Å
240	M	87.1	Confident	83.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	164	-175.1	-63.3	-56.7	-65.1	0	0	110.7	P180 I181 L200 K201 F224 A227 A231 G238	P180-M240 CarbonylContact C-O 3.53Å; P180-M240 VanDerWaalsContact CA-O 3.28Å; P180-M240 WeakPolarHBondContact CA-O 3.41Å; I181-M240 HydrophobicContact CG1-CB 4.07Å; I181-M240 WeakPolarHBondContact CG1-O 3.49Å; I181-M240 PolarHBondContact N-O 2.98Å; I181-M240 PolarHBondContact O-N 2.87Å; L200-M240 HydrophobicContact CB-CE 3.85Å; K201-M240 VanDerWaalsContact C-CE 3.5Å; K201-M240 CarbonylContact O-C 3.54Å; K201-M240 WeakPolarHBondContact O-CA 3.09Å; K201-M240 WeakPolarHBondContact O-CE 3.45Å; F224-M240 HydrophobicContact CD2-CB 4.32Å; F224-M240 HydrophobicContact CD2-CG 4.28Å; F224-M240 HydrophobicContact CE2-CB 3.56Å; F224-M240 HydrophobicContact CE2-CG 3.76Å; F224-M240 HydrophobicContact CZ-CB 4.01Å; F224-M240 HydrophobicContact CZ-CG 3.94Å; A227-M240 HydrophobicContact CB-CE 3.44Å; A227-M240 VanDerWaalsContact CB-CE 3.44Å; A227-M240 HydrophobicContact CB-SD 4.27Å; A231-M240 HydrophobicContact CB-SD 4.02Å; G238-M240 PolarHBondContact O-N 3.36Å
241	F	85.7	Confident	83.7	Confident	27 Å²	27	40.7 Å²	40.7	12%	0.118	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.2	172.6	-167.4	-105.6	0	0	0	107.1	S177 L200 K201 A203 E243	S177-F241 WeakPolarHBondContact O-CE2 3.21Å; S177-F241 VanDerWaalsContact O-CZ 3.31Å; S177-F241 WeakPolarHBondContact O-CZ 3.15Å; S177-F241 WeakPolarHBondContact OG-CD2 3.34Å; L200-F241 CarbonylContact C-O 3.41Å; L200-F241 WeakPolarHBondContact CA-O 3.47Å; K201-F241 PolarHBondContact N-O 3.3Å; K201-F241 PolarHBondContact O-N 3.26Å; A203-F241 HydrophobicContact CB-CB 4.41Å; F241-E243 HydrophobicContact CD1-CG 3.68Å; F241-E243 HydrophobicContact CE1-CG 3.36Å; F241-E243 WeakPolarHBondContact CE1-OE1 3.16Å; F241-E243 HydrophobicContact CZ-CG 4.44Å
242	I	88.8	Confident	84.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.1	-179.5	-171.6	168.2	0	0	0	109.5	G176 S177 I181 A187 F190 V198 I199 L200 I220	G176-I242 CarbonylContact C-O 3.54Å; G176-I242 WeakPolarHBondContact CA-O 2.98Å; S177-I242 PolarHBondContact N-O 2.98Å; S177-I242 PolarHBondContact OG-N 3.41Å; I181-I242 HydrophobicContact CD1-CB 3.79Å; I181-I242 HydrophobicContact CD1-CG2 3.61Å; I181-I242 HydrophobicContact CG1-CG2 4.43Å; A187-I242 HydrophobicContact CB-CD1 4.11Å; F190-I242 HydrophobicContact CB-CD1 4.2Å; F190-I242 HydrophobicContact CB-CG2 3.87Å; F190-I242 HydrophobicContact CD1-CB 4.23Å; F190-I242 HydrophobicContact CD1-CD1 3.55Å; F190-I242 HydrophobicContact CD1-CG1 3.57Å; F190-I242 HydrophobicContact CD1-CG2 3.69Å; F190-I242 HydrophobicContact CD2-CG2 3.83Å; F190-I242 HydrophobicContact CE1-CD1 4.32Å; F190-I242 HydrophobicContact CE1-CG1 3.88Å; F190-I242 HydrophobicContact CE1-CG2 4.2Å; F190-I242 HydrophobicContact CE2-CG2 4.33Å; F190-I242 HydrophobicContact CG-CB 4.49Å; F190-I242 HydrophobicContact CG-CD1 4.14Å; F190-I242 HydrophobicContact CG-CG1 4.25Å; F190-I242 HydrophobicContact CG-CG2 3.49Å; F190-I242 VanDerWaalsContact CG-CG2 3.49Å; F190-I242 HydrophobicContact CZ-CG2 4.5Å; V198-I242 HydrophobicContact CB-CD1 4.04Å; V198-I242 HydrophobicContact CB-CG1 3.96Å; V198-I242 HydrophobicContact CG1-CD1 4.32Å; V198-I242 HydrophobicContact CG1-CG1 4.41Å; V198-I242 HydrophobicContact CG2-CD1 3.86Å; V198-I242 HydrophobicContact CG2-CG1 4.23Å; I199-I242 WeakPolarHBondContact O-CA 3.41Å; L200-I242 HydrophobicContact CD2-CB 4.09Å; L200-I242 HydrophobicContact CD2-CD1 3.95Å; L200-I242 HydrophobicContact CD2-CG1 4.02Å; I220-I242 HydrophobicContact CD1-CD1 4.21Å
243	E	87.9	Confident	85.3	Confident	22 Å²	22	35.9 Å²	35.9	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.9	175.8	-68.8	-176.3	132.2	0	0	110.6	R163 V174 P175 V198 I199 K201 F241 F245	R163-E243 IonicContact NH1-OE1 3.25Å; R163-E243 PolarHBondContact NH1-OE1 3.26Å; V174-E243 HydrophobicContact CG1-CB 4.08Å; P175-E243 CarbonylContact O-C 3.58Å; P175-E243 WeakPolarHBondContact O-CA 3.48Å; V198-E243 CarbonylContact C-O 3.49Å; V198-E243 VanDerWaalsContact CA-O 3.25Å; V198-E243 WeakPolarHBondContact CA-O 3.4Å; V198-E243 WeakPolarHBondContact CB-O 3.25Å; I199-E243 HydrophobicContact CG2-CB 4.03Å; I199-E243 PolarHBondContact N-O 2.8Å; I199-E243 PolarHBondContact O-N 3Å; K201-E243 WeakPolarHBondContact CE-OE2 3.3Å; K201-E243 IonicContact NZ-OE2 3.71Å; K201-E243 PolarHBondContact NZ-OE2 2.98Å; F241-E243 HydrophobicContact CD1-CG 3.68Å; F241-E243 HydrophobicContact CE1-CG 3.36Å; F241-E243 WeakPolarHBondContact CE1-OE1 3.16Å; F241-E243 HydrophobicContact CZ-CG 4.44Å; E243-F245 PolarHBondContact O-N 2.89Å
244	K	88.4	Confident	86.3	Confident	78 Å²	78	31.6 Å²	31.6	34%	0.339	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	128.3	166.1	-173.6	168.8	-177.6	170.3	0	109.1	V174 P175	V174-K244 HydrophobicContact CG1-CB 4.19Å; V174-K244 WeakPolarHBondContact CG1-O 3.47Å; P175-K244 HydrophobicContact CB-CB 4.38Å; P175-K244 PolarHBondContact O-N 3.43Å
245	F	86.4	Confident	87.7	Confident	33 Å²	33	29.3 Å²	29.3	15%	0.145	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-83.5	119.6	176	-177.1	-108.1	0	0	0	108.9	P197 I199 V213 E243 E247	P197-F245 HydrophobicContact CB-CB 4.12Å; P197-F245 HydrophobicContact CB-CD1 4.21Å; P197-F245 HydrophobicContact CG-CB 4.12Å; P197-F245 HydrophobicContact CG-CD1 3.91Å; P197-F245 PolarHBondContact O-N 3.14Å; I199-F245 HydrophobicContact CB-CB 4.23Å; I199-F245 HydrophobicContact CB-CD2 3.92Å; I199-F245 HydrophobicContact CD1-CD2 4.06Å; I199-F245 HydrophobicContact CD1-CE2 4.27Å; I199-F245 HydrophobicContact CG2-CB 4.45Å; I199-F245 HydrophobicContact CG2-CD2 4.28Å; V213-F245 HydrophobicContact CG1-CB 4.43Å; V213-F245 HydrophobicContact CG1-CD1 3.73Å; V213-F245 HydrophobicContact CG1-CD2 4.24Å; V213-F245 HydrophobicContact CG1-CE1 3.98Å; V213-F245 HydrophobicContact CG1-CE2 4.45Å; V213-F245 HydrophobicContact CG1-CG 3.87Å; V213-F245 HydrophobicContact CG1-CZ 4.33Å; V213-F245 HydrophobicContact CG2-CD2 3.78Å; V213-F245 HydrophobicContact CG2-CE1 4.36Å; V213-F245 HydrophobicContact CG2-CE2 3.55Å; V213-F245 HydrophobicContact CG2-CG 4.27Å; V213-F245 HydrophobicContact CG2-CZ 3.87Å; E243-F245 PolarHBondContact O-N 2.89Å; F245-E247 HydrophobicContact CD1-CG 4.24Å; F245-E247 HydrophobicContact CE1-CG 4.44Å
246	I	85.7	Confident	88.8	Confident	14 Å²	14	26.1 Å²	26.1	7%	0.072	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-83.9	118.5	172.7	-49.4	-56.6	0	0	0	106.8	P249 D322 Y329	I246-P249 HydrophobicContact CB-CB 4.3Å; I246-P249 HydrophobicContact CB-CG 4.34Å; I246-P249 HydrophobicContact CG2-CB 3.76Å; I246-P249 HydrophobicContact CG2-CG 4.19Å; I246-P249 WeakPolarHBondContact O-CD 3.25Å; I246-D322 HydrophobicContact CG2-CB 3.84Å; I246-Y329 HydrophobicContact CD1-CD2 3.95Å; I246-Y329 HydrophobicContact CD1-CE2 3.71Å; I246-Y329 HydrophobicContact CG1-CD2 4.21Å; I246-Y329 HydrophobicContact CG1-CE2 4.42Å
247	E	81.8	Confident	89.9	Confident	87 Å²	87	23.1 Å²	23.1	41%	0.407	11%	0.109	S	C	.	.	S	Bend	trans	-73.5	-43.2	-167.9	-67.6	-157.4	131.4	0	0	114.1	P197 R215 F245 P249 N487	P197-E247 HydrophobicContact CG-CG 3.8Å; R215-E247 IonicContact CZ-OE1 2.7Å; R215-E247 IonicContact NH1-OE1 3.14Å; R215-E247 PolarHBondContact NH1-OE1 2.97Å; R215-E247 IonicContact NH2-OE1 2.75Å; F245-E247 HydrophobicContact CD1-CG 4.24Å; F245-E247 HydrophobicContact CE1-CG 4.44Å; E247-P249 VanDerWaalsContact C-CD 3.42Å; E247-N487 PolarHBondContact O-ND2 2.78Å
248	R	85.5	Confident	90.8	Very high	121 Å²	121	20.1 Å²	20.1	46%	0.457	9%	0.092	S	C	.	.	S	Bend	trans	-131.8	56.7	-174.3	-69.7	-177.4	166.3	-169.7	-12.3	111.7	D485 E491	R248-D485 HydrophobicContact CB-CB 4.43Å; R248-D485 WeakPolarHBondContact CB-OD2 3.39Å; R248-E491 IonicContact CZ-OE1 3.04Å; R248-E491 IonicContact NE-OE1 3.84Å; R248-E491 IonicContact NH2-OE1 3Å; R248-E491 PolarHBondContact NH2-OE1 2.78Å; R248-E491 IonicContact NH2-OE2 2.85Å; R248-E491 PolarHBondContact NH2-OE2 2.85Å
249	P	90.8	Very high	91.5	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.032	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	146	-179.5	31.3	-32.7	0	0	0	110.5	I246 E247 L320 Y321 T486	I246-P249 HydrophobicContact CB-CB 4.3Å; I246-P249 HydrophobicContact CB-CG 4.34Å; I246-P249 HydrophobicContact CG2-CB 3.76Å; I246-P249 HydrophobicContact CG2-CG 4.19Å; I246-P249 WeakPolarHBondContact O-CD 3.25Å; E247-P249 VanDerWaalsContact C-CD 3.42Å; P249-L320 HydrophobicContact CB-CB 3.79Å; P249-L320 HydrophobicContact CB-CD2 3.82Å; P249-L320 HydrophobicContact CB-CG 4.23Å; P249-L320 HydrophobicContact CG-CD1 4.48Å; P249-L320 HydrophobicContact CG-CD2 3.94Å; P249-Y321 CarbonylContact C-O 3.53Å; P249-Y321 WeakPolarHBondContact CA-O 3.47Å; P249-T486 WeakPolarHBondContact CD-OG1 3.25Å; P249-T486 HydrophobicContact CG-CG2 4.23Å; P249-T486 WeakPolarHBondContact CG-OG1 3.33Å; P249-T486 WeakPolarHBondContact O-CG2 3.21Å; P249-T486 PolarHBondContact O-N 2.81Å; P249-T486 PolarHBondContact O-OG1 2.9Å
250	R	93.8	Very high	91.8	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134	150.7	-75.3	179.4	67.5	-177.5	5.3	109	I252 D271 S273 P288 L320 Y321 Q323 V484	R250-I252 HydrophobicContact CB-CD1 4.08Å; R250-I252 HydrophobicContact CB-CG1 4.06Å; R250-I252 PolarHBondContact O-N 3.28Å; R250-D271 IonicContact CZ-OD2 3.95Å; R250-D271 VanDerWaalsContact CZ-OD2 3.23Å; R250-D271 IonicContact NE-OD2 3.26Å; R250-D271 PolarHBondContact NE-OD2 2.88Å; R250-D271 IonicContact NH2-OD2 3.88Å; R250-D271 PolarHBondContact NH2-OD2 3.44Å; R250-S273 WeakPolarHBondContact CA-OG 3.48Å; R250-S273 WeakPolarHBondContact CB-OG 3.39Å; R250-P288 PolarHBondContact NH1-O 3.49Å; R250-P288 PolarHBondContact NH2-O 2.83Å; R250-L320 CarbonylContact O-C 3.57Å; R250-L320 WeakPolarHBondContact O-CA 3.42Å; R250-Y321 HydrophobicContact CB-CD1 4.3Å; R250-Y321 PolarHBondContact N-O 2.88Å; R250-Y321 PolarHBondContact O-N 2.94Å; R250-Q323 VanDerWaalsContact CD-CD 3.47Å; R250-Q323 HydrophobicContact CG-CG 4.35Å; R250-V484 WeakPolarHBondContact CG-O 3.47Å
251	H	94.8	Very high	92.1	Very high	13 Å²	13	29.8 Å²	29.8	6%	0.06	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	101.8	170.9	-174	129.2	0	0	0	107.8	E253 C272 S273 Q275 E318 L320 T486	H251-E253 IonicContact NE2-OE2 2.88Å; H251-C272 PolarHBondContact O-N 3.14Å; H251-S273 PolarHBondContact N-OG 2.65Å; H251-Q275 PolarHBondContact ND1-NE2 2.92Å; H251-Q275 VanDerWaalsContact ND1-NE2 3.16Å; H251-E318 IonicContact CE1-OE2 3.69Å; H251-E318 PolarHBondContact CE1-OE2 3.09Å; H251-E318 VanDerWaalsContact NE2-CD 3.29Å; H251-E318 IonicContact NE2-OE1 3.34Å; H251-E318 IonicContact NE2-OE2 3.93Å; H251-E318 PolarHBondContact NE2-OE2 3.43Å; H251-L320 HydrophobicContact CB-CD2 4.48Å; H251-T486 HydrophobicContact CB-CG2 4.13Å
252	I	96.6	Very high	92.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.1	-180	-55.5	-58.5	0	0	0	108.9	R250 E269 R270 D271 A287 L298 F319	R250-I252 HydrophobicContact CB-CD1 4.08Å; R250-I252 HydrophobicContact CB-CG1 4.06Å; R250-I252 PolarHBondContact O-N 3.28Å; I252-E269 HydrophobicContact CG2-CB 3.79Å; I252-E269 HydrophobicContact CG2-CG 3.85Å; I252-R270 WeakPolarHBondContact CA-O 3.42Å; I252-D271 HydrophobicContact CD1-CB 3.84Å; I252-A287 HydrophobicContact CD1-CB 3.91Å; I252-L298 HydrophobicContact CB-CD1 4.45Å; I252-L298 HydrophobicContact CG2-CD1 3.93Å; I252-F319 PolarHBondContact N-O 3.3Å; I252-F319 CarbonylContact O-C 3.35Å; I252-F319 WeakPolarHBondContact O-CA 3.48Å; I252-F319 WeakPolarHBondContact O-CB 3.4Å; I252-F319 PolarHBondContact O-N 2.85Å
253	E	97.4	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147	-178.4	67.5	179.9	-162.7	0	0	111.6	H251 E269 R270 C272 K280 T316 V317 E318 Q338 E340	H251-E253 IonicContact NE2-OE2 2.88Å; E253-E269 CarbonylContact O-C 3.58Å; E253-E269 WeakPolarHBondContact O-CA 3.48Å; E253-E269 WeakPolarHBondContact O-CB 3.41Å; E253-R270 HydrophobicContact CG-CB 3.85Å; E253-R270 PolarHBondContact N-O 2.9Å; E253-R270 PolarHBondContact O-N 3.36Å; E253-R270 IonicContact OE1-CZ 3.81Å; E253-R270 VanDerWaalsContact OE1-CZ 3.24Å; E253-R270 IonicContact OE1-NE 3.57Å; E253-R270 PolarHBondContact OE1-NE 3.4Å; E253-R270 IonicContact OE1-NH2 3.54Å; E253-R270 PolarHBondContact OE1-NH2 2.82Å; E253-C272 VanDerWaalsContact CD-SG 3.54Å; E253-C272 PolarHBondContact OE1-SG 2.93Å; E253-K280 IonicContact OE1-NZ 2.62Å; E253-K280 IonicContact OE2-NZ 3.79Å; E253-K280 PolarHBondContact OE2-NZ 2.58Å; E253-T316 HydrophobicContact CB-CG2 3.58Å; E253-T316 HydrophobicContact CG-CG2 3.88Å; E253-V317 CarbonylContact C-O 3.58Å; E253-V317 VanDerWaalsContact CA-O 3.32Å; E253-V317 WeakPolarHBondContact CA-O 3.35Å; E253-E318 HydrophobicContact CB-CB 4.35Å; E253-E318 HydrophobicContact CB-CG 3.91Å; E253-E318 VanDerWaalsContact OE2-OE1 3.13Å; E253-Q338 PolarHBondContact OE1-OE1 3.42Å; E253-Q338 VanDerWaalsContact OE1-OE1 3.1Å; E253-Q338 PolarHBondContact OE2-NE2 3.02Å; E253-Q338 PolarHBondContact OE2-OE1 3.32Å; E253-E340 WeakPolarHBondContact OE1-CG 3.35Å
254	V	98.3	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.6	-174.7	-179	0	0	0	0	110	I256 H266 E269 L298 L299 A302 T316 V317 F319	V254-I256 HydrophobicContact CG1-CG2 4.48Å; V254-H266 HydrophobicContact CG1-CB 3.85Å; V254-E269 HydrophobicContact CG2-CB 4.24Å; V254-L298 HydrophobicContact CG2-CB 4.46Å; V254-L299 HydrophobicContact CB-CD2 4.4Å; V254-L299 HydrophobicContact CG1-CD2 3.59Å; V254-L299 HydrophobicContact CG2-CD2 3.93Å; V254-A302 HydrophobicContact CB-CB 3.61Å; V254-A302 HydrophobicContact CG1-CB 3.58Å; V254-A302 HydrophobicContact CG2-CB 4.02Å; V254-T316 WeakPolarHBondContact O-CA 3.47Å; V254-V317 PolarHBondContact N-O 3.27Å; V254-V317 PolarHBondContact O-N 3.13Å; V254-F319 HydrophobicContact CG2-CD2 4.34Å; V254-F319 HydrophobicContact CG2-CE2 3.95Å
255	Q	98.4	Very high	93.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.7	173.1	-177.2	62.5	58.3	0	0	110.2	H266 L267 Y268 G315 T344 L352	Q255-H266 CarbonylContact O-C 3.45Å; Q255-H266 VanDerWaalsContact O-CA 3.23Å; Q255-H266 WeakPolarHBondContact O-CA 3.42Å; Q255-L267 HydrophobicContact CB-CB 3.98Å; Q255-L267 HydrophobicContact CG-CB 3.87Å; Q255-L267 HydrophobicContact CG-CD1 3.89Å; Q255-L267 HydrophobicContact CG-CG 4.32Å; Q255-L267 PolarHBondContact O-N 2.65Å; Q255-Y268 PolarHBondContact N-O 2.81Å; Q255-Y268 VanDerWaalsContact N-O 3.15Å; Q255-G315 PolarHBondContact NE2-O 2.95Å; Q255-T344 HydrophobicContact CB-CG2 3.98Å; Q255-T344 HydrophobicContact CG-CG2 4.02Å; Q255-L352 HydrophobicContact CG-CD1 4.08Å; Q255-L352 HydrophobicContact CG-CD2 4.06Å
256	I	97.8	Very high	94.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	151.2	174.1	57.7	169.4	0	0	0	111.5	V254 V264 V265 A302 A306 Y311 A314 G315 V317	V254-I256 HydrophobicContact CG1-CG2 4.48Å; I256-V264 HydrophobicContact CB-CG1 4.44Å; I256-V265 WeakPolarHBondContact CA-O 3.41Å; I256-A302 HydrophobicContact CG2-CB 4.29Å; I256-A306 HydrophobicContact CD1-CB 3.49Å; I256-A306 VanDerWaalsContact CD1-CB 3.49Å; I256-Y311 HydrophobicContact CD1-CD1 3.78Å; I256-Y311 HydrophobicContact CD1-CD2 4.24Å; I256-Y311 HydrophobicContact CD1-CE1 3.94Å; I256-Y311 HydrophobicContact CD1-CE2 4.37Å; I256-Y311 HydrophobicContact CD1-CG 3.96Å; I256-Y311 HydrophobicContact CG1-CD1 4.5Å; I256-Y311 HydrophobicContact CG1-CE1 4.39Å; I256-A314 WeakPolarHBondContact O-CA 3.33Å; I256-G315 VanDerWaalsContact CG1-C 3.44Å; I256-G315 WeakPolarHBondContact CG1-O 3.4Å; I256-G315 PolarHBondContact N-O 2.81Å; I256-G315 PolarHBondContact O-N 2.89Å; I256-G315 VanDerWaalsContact O-N 3.12Å; I256-V317 HydrophobicContact CD1-CG2 4.08Å; I256-V317 HydrophobicContact CG2-CG2 4.38Å
257	L	97.4	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.8	165.6	-75.7	176	0	0	0	108.6	V264 V265 L267 N313 A314 V350 L352 L359 L365 L370	L257-V264 WeakPolarHBondContact O-CA 3.45Å; L257-V265 HydrophobicContact CB-CG2 4.02Å; L257-V265 PolarHBondContact N-O 2.85Å; L257-V265 PolarHBondContact O-N 3.21Å; L257-L267 HydrophobicContact CD1-CD1 3.74Å; L257-L267 HydrophobicContact CD1-CG 4.48Å; L257-L267 HydrophobicContact CG-CD1 4.1Å; L257-N313 WeakPolarHBondContact CA-O 3.36Å; L257-A314 HydrophobicContact CD2-CB 3.77Å; L257-V350 HydrophobicContact CD1-CG1 4.41Å; L257-L352 HydrophobicContact CD1-CD2 4.08Å; L257-L352 HydrophobicContact CD2-CD2 3.84Å; L257-L352 HydrophobicContact CG-CD2 3.98Å; L257-L359 HydrophobicContact CD2-CD1 4.02Å; L257-L365 HydrophobicContact CB-CD2 4.02Å; L257-L370 HydrophobicContact CD1-CD1 3.89Å
258	G	97	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.1	173.6	0	0	0	0	0	112.8	N263 Y311 N313	G258-N263 CarbonylContact C-O 3.55Å; G258-N263 VanDerWaalsContact CA-O 3.26Å; G258-N263 WeakPolarHBondContact CA-O 3.37Å; G258-Y311 WeakPolarHBondContact CA-O 3.31Å; G258-N313 PolarHBondContact N-O 2.85Å; G258-N313 PolarHBondContact O-N 3.38Å
259	D	96.1	Very high	96.1	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	12%	0.115	C	C	.	.			trans	-104	171.8	171	69.1	23.7	0	0	0	113	Y261 G262 N263 L359 S364 L365	D259-Y261 HydrophobicContact CB-CD2 4.27Å; D259-Y261 PolarHBondContact O-N 3.33Å; D259-Y261 VanDerWaalsContact O-N 3.13Å; D259-Y261 VanDerWaalsContact OD1-CA 3.31Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.36Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.3Å; D259-Y261 PolarHBondContact OD1-N 3.36Å; D259-G262 PolarHBondContact O-N 2.94Å; D259-G262 PolarHBondContact OD1-N 3.04Å; D259-N263 PolarHBondContact N-O 3.31Å; D259-N263 WeakPolarHBondContact OD1-CB 3.2Å; D259-N263 PolarHBondContact OD1-N 2.68Å; D259-N263 PolarHBondContact OD1-ND2 2.85Å; D259-N263 PolarHBondContact OD2-ND2 3.24Å; D259-L359 HydrophobicContact CB-CD2 3.67Å; D259-S364 WeakPolarHBondContact OD2-CA 3.41Å; D259-S364 WeakPolarHBondContact OD2-CB 3.4Å; D259-L365 HydrophobicContact CB-CG 4.08Å; D259-L365 PolarHBondContact OD2-N 3.05Å
260	K	92.8	Very high	96.4	Very high	100 Å²	100	22 Å²	22	44%	0.435	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-2.2	178.6	-58.3	-170.1	174.8	173.1	0	113.8	E312 A360	K260-E312 WeakPolarHBondContact CE-OE2 3.29Å; K260-E312 HydrophobicContact CG-CG 4.5Å; K260-E312 WeakPolarHBondContact CG-OE2 3.33Å; K260-A360 PolarHBondContact NZ-O 3.1Å
261	Y	93.6	Very high	96.6	Very high	123 Å²	123	22.1 Å²	22.1	48%	0.482	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	8.2	-176.1	-51.5	-74.2	0	0	0	111.8	D259 G362 S364	D259-Y261 HydrophobicContact CB-CD2 4.27Å; D259-Y261 PolarHBondContact O-N 3.33Å; D259-Y261 VanDerWaalsContact O-N 3.13Å; D259-Y261 VanDerWaalsContact OD1-CA 3.31Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.36Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.3Å; D259-Y261 PolarHBondContact OD1-N 3.36Å; Y261-G362 PolarHBondContact OH-O 2.98Å; Y261-S364 VanDerWaalsContact CD2-CB 3.46Å
262	G	91.7	Very high	96.7	Very high	48 Å²	48	21.5 Å²	21.5	50%	0.495	11%	0.11	S	C	.	.	S	Bend	trans	83.9	7.2	177.4	0	0	0	0	0	114.2	D259	D259-G262 PolarHBondContact O-N 2.94Å; D259-G262 PolarHBondContact OD1-N 3.04Å
263	N	95.6	Very high	96.6	Very high	81 Å²	81	21.5 Å²	21.5	43%	0.433	11%	0.11	S	C	.	.			trans	-84	135.3	175.3	-53	-67.8	0	0	0	109.9	G258 D259 L365	G258-N263 CarbonylContact C-O 3.55Å; G258-N263 VanDerWaalsContact CA-O 3.26Å; G258-N263 WeakPolarHBondContact CA-O 3.37Å; D259-N263 PolarHBondContact N-O 3.31Å; D259-N263 WeakPolarHBondContact OD1-CB 3.2Å; D259-N263 PolarHBondContact OD1-N 2.68Å; D259-N263 PolarHBondContact OD1-ND2 2.85Å; D259-N263 PolarHBondContact OD2-ND2 3.24Å; N263-L365 HydrophobicContact CB-CD1 3.85Å; N263-L365 WeakPolarHBondContact O-CD1 3.38Å
264	V	96.9	Very high	96.4	Very high	21 Å²	21	21.5 Å²	21.5	13%	0.127	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.6	175.3	-178.9	0	0	0	0	109.7	I256 L257 V303 A306	I256-V264 HydrophobicContact CB-CG1 4.44Å; L257-V264 WeakPolarHBondContact O-CA 3.45Å; V264-V303 HydrophobicContact CB-CG1 4.22Å; V264-V303 HydrophobicContact CG1-CG1 4.18Å; V264-A306 HydrophobicContact CG1-CB 3.81Å; V264-A306 HydrophobicContact CG2-CB 4.4Å
265	V	97.8	Very high	96	Very high	8 Å²	8	22 Å²	22	5%	0.048	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.3	171.8	-65.3	0	0	0	0	110.5	I256 L257 L365 Q372 I375	I256-V265 WeakPolarHBondContact CA-O 3.41Å; L257-V265 HydrophobicContact CB-CG2 4.02Å; L257-V265 PolarHBondContact N-O 2.85Å; L257-V265 PolarHBondContact O-N 3.21Å; V265-L365 HydrophobicContact CB-CD1 4.38Å; V265-L365 HydrophobicContact CG1-CD1 3.97Å; V265-L365 HydrophobicContact CG2-CD1 3.89Å; V265-L365 HydrophobicContact CG2-CD2 4.16Å; V265-Q372 HydrophobicContact CG1-CB 4.47Å; V265-I375 HydrophobicContact CB-CD1 3.93Å; V265-I375 HydrophobicContact CG1-CD1 4.37Å; V265-I375 HydrophobicContact CG2-CD1 3.94Å
266	H	97.9	Very high	95.3	Very high	22 Å²	22	23.3 Å²	23.3	10%	0.102	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	148.1	167.5	68.3	71.3	0	0	0	111.3	V254 Q255 Y268 L299 V303 Q372	V254-H266 HydrophobicContact CG1-CB 3.85Å; Q255-H266 CarbonylContact O-C 3.45Å; Q255-H266 VanDerWaalsContact O-CA 3.23Å; Q255-H266 WeakPolarHBondContact O-CA 3.42Å; H266-Y268 PolarHBondContact ND1-N 3.27Å; H266-L299 HydrophobicContact CB-CD2 4.37Å; H266-V303 HydrophobicContact CB-CG2 3.89Å; H266-Q372 VanDerWaalsContact CD2-CD 3.48Å; H266-Q372 PolarHBondContact CD2-OE1 3.38Å; H266-Q372 PolarHBondContact CE1-NE2 2.92Å; H266-Q372 PolarHBondContact ND1-NE2 2.8Å; H266-Q372 VanDerWaalsContact NE2-CD 3.28Å; H266-Q372 PolarHBondContact NE2-NE2 2.83Å; H266-Q372 PolarHBondContact NE2-OE1 2.89Å; H266-Q372 PolarHBondContact O-NE2 3.22Å
267	L	98	Very high	94.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	35.8	173.6	-62.3	171.5	0	0	0	111.8	Q255 L257 T344 T348 V350 L352 I375	Q255-L267 HydrophobicContact CB-CB 3.98Å; Q255-L267 HydrophobicContact CG-CB 3.87Å; Q255-L267 HydrophobicContact CG-CD1 3.89Å; Q255-L267 HydrophobicContact CG-CG 4.32Å; Q255-L267 PolarHBondContact O-N 2.65Å; L257-L267 HydrophobicContact CD1-CD1 3.74Å; L257-L267 HydrophobicContact CD1-CG 4.48Å; L257-L267 HydrophobicContact CG-CD1 4.1Å; L267-T344 HydrophobicContact CB-CG2 3.52Å; L267-T344 HydrophobicContact CD1-CG2 4.42Å; L267-T344 WeakPolarHBondContact O-CG2 3.49Å; L267-T348 HydrophobicContact CB-CG2 4.2Å; L267-T348 HydrophobicContact CD2-CG2 4.44Å; L267-V350 HydrophobicContact CD1-CB 4.35Å; L267-V350 HydrophobicContact CD1-CG1 4.13Å; L267-V350 HydrophobicContact CD2-CB 4.15Å; L267-V350 HydrophobicContact CD2-CG1 4.32Å; L267-V350 HydrophobicContact CD2-CG2 3.84Å; L267-L352 HydrophobicContact CD1-CD2 3.44Å; L267-L352 VanDerWaalsContact CD1-CD2 3.44Å; L267-L352 HydrophobicContact CD1-CG 4.06Å; L267-I375 HydrophobicContact CD2-CD1 3.8Å; L267-I375 HydrophobicContact CD2-CG1 4.13Å; L267-I375 HydrophobicContact CD2-CG2 3.67Å
268	Y	97.9	Very high	93	Very high	43 Å²	43	38.2 Å²	38.2	17%	0.169	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	-178.1	-175.5	-67.9	-94.3	0	0	0	113.5	Q255 H266 L299 T348 I375 P377	Q255-Y268 PolarHBondContact N-O 2.81Å; Q255-Y268 VanDerWaalsContact N-O 3.15Å; H266-Y268 PolarHBondContact ND1-N 3.27Å; Y268-L299 HydrophobicContact CD1-CD1 3.99Å; Y268-L299 HydrophobicContact CE1-CD1 4.24Å; Y268-T348 HydrophobicContact CD2-CG2 4.48Å; Y268-I375 HydrophobicContact CD2-CG2 4.18Å; Y268-I375 HydrophobicContact CE2-CG2 3.98Å; Y268-I375 VanDerWaalsContact CE2-O 3.28Å; Y268-I375 WeakPolarHBondContact CE2-O 3.41Å; Y268-I375 PolarHBondContact OH-O 3.32Å; Y268-P377 HydrophobicContact CD1-CG 4.05Å; Y268-P377 HydrophobicContact CD2-CB 4.26Å; Y268-P377 HydrophobicContact CD2-CG 4.29Å; Y268-P377 HydrophobicContact CE1-CG 3.83Å; Y268-P377 HydrophobicContact CE2-CB 4.44Å; Y268-P377 HydrophobicContact CE2-CG 4.09Å; Y268-P377 HydrophobicContact CG-CB 4.32Å; Y268-P377 HydrophobicContact CG-CG 4.29Å; Y268-P377 VanDerWaalsContact CZ-CD 3.43Å
269	E	97.6	Very high	92.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	158.8	-177.1	81.2	-66.7	167.7	0	0	113.6	I252 E253 V254 P286 A287 L290 R295 L299	I252-E269 HydrophobicContact CG2-CB 3.79Å; I252-E269 HydrophobicContact CG2-CG 3.85Å; E253-E269 CarbonylContact O-C 3.58Å; E253-E269 WeakPolarHBondContact O-CA 3.48Å; E253-E269 WeakPolarHBondContact O-CB 3.41Å; V254-E269 HydrophobicContact CG2-CB 4.24Å; E269-P286 WeakPolarHBondContact OE1-CB 3.36Å; E269-A287 HydrophobicContact CG-CB 3.77Å; E269-A287 PolarHBondContact OE1-N 3.08Å; E269-L290 HydrophobicContact CG-CD2 3.97Å; E269-R295 VanDerWaalsContact CD-NE 3.31Å; E269-R295 IonicContact OE1-CZ 3.77Å; E269-R295 IonicContact OE1-NE 2.98Å; E269-R295 PolarHBondContact OE1-NE 3.2Å; E269-R295 IonicContact OE1-NH2 2.76Å; E269-R295 PolarHBondContact OE1-NH2 2.96Å; E269-R295 IonicContact OE2-NE 2.99Å; E269-R295 PolarHBondContact OE2-NE 3.02Å; E269-L299 HydrophobicContact CB-CD2 4.43Å
270	R	98.2	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.9	167.4	-59.1	-178.6	-71.8	-90.3	-5.3	109.4	I252 E253 I284 A285 T316 E340 V343 T344	I252-R270 WeakPolarHBondContact CA-O 3.42Å; E253-R270 HydrophobicContact CG-CB 3.85Å; E253-R270 PolarHBondContact N-O 2.9Å; E253-R270 PolarHBondContact O-N 3.36Å; E253-R270 IonicContact OE1-CZ 3.81Å; E253-R270 VanDerWaalsContact OE1-CZ 3.24Å; E253-R270 IonicContact OE1-NE 3.57Å; E253-R270 PolarHBondContact OE1-NE 3.4Å; E253-R270 IonicContact OE1-NH2 3.54Å; E253-R270 PolarHBondContact OE1-NH2 2.82Å; R270-I284 CarbonylContact C-O 3.53Å; R270-I284 VanDerWaalsContact CA-O 3.25Å; R270-I284 WeakPolarHBondContact CA-O 3.24Å; R270-A285 HydrophobicContact CG-CB 4.03Å; R270-T316 VanDerWaalsContact NH2-CG2 3.34Å; R270-T316 PolarHBondContact NH2-OG1 2.81Å; R270-E340 VanDerWaalsContact CD-O 3.3Å; R270-E340 WeakPolarHBondContact CD-O 3.37Å; R270-V343 VanDerWaalsContact CD-CG2 3.46Å; R270-V343 HydrophobicContact CG-CG2 3.91Å; R270-T344 WeakPolarHBondContact CD-OG1 3.41Å; R270-T344 PolarHBondContact NH1-OG1 3.37Å
271	D	97	Very high	91.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.7	168	-171.4	-16.7	0	0	0	109.5	R250 I252 S273 E283 I284 A287	R250-D271 IonicContact CZ-OD2 3.95Å; R250-D271 VanDerWaalsContact CZ-OD2 3.23Å; R250-D271 IonicContact NE-OD2 3.26Å; R250-D271 PolarHBondContact NE-OD2 2.88Å; R250-D271 IonicContact NH2-OD2 3.88Å; R250-D271 PolarHBondContact NH2-OD2 3.44Å; I252-D271 HydrophobicContact CD1-CB 3.84Å; D271-S273 WeakPolarHBondContact OD1-CB 3.48Å; D271-S273 PolarHBondContact OD1-N 3.4Å; D271-S273 PolarHBondContact OD1-OG 3.33Å; D271-E283 WeakPolarHBondContact O-CA 3.31Å; D271-I284 HydrophobicContact CB-CB 4.4Å; D271-I284 PolarHBondContact N-O 3.42Å; D271-I284 PolarHBondContact O-N 3.37Å; D271-A287 HydrophobicContact CB-CB 3.85Å
272	C	96.5	Very high	91.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	23.7	-178.7	-62.9	0	0	0	0	111.1	H251 E253 V274 Q275 K280 E283	H251-C272 PolarHBondContact O-N 3.14Å; E253-C272 VanDerWaalsContact CD-SG 3.54Å; E253-C272 PolarHBondContact OE1-SG 2.93Å; C272-V274 VanDerWaalsContact C-N 3.29Å; C272-V274 PolarHBondContact O-N 3.44Å; C272-Q275 WeakPolarHBondContact O-CG 3.5Å; C272-Q275 PolarHBondContact O-NE2 3Å; C272-K280 HydrophobicContact CB-CD 3.74Å; C272-K280 HydrophobicContact CB-CG 4.07Å; C272-E283 HydrophobicContact CB-CG 4.45Å
273	S	95	Very high	92.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-22.2	-174.6	-53.1	0	0	0	0	113.7	R250 H251 D271 Q275 T486	R250-S273 WeakPolarHBondContact CA-OG 3.48Å; R250-S273 WeakPolarHBondContact CB-OG 3.39Å; H251-S273 PolarHBondContact N-OG 2.65Å; D271-S273 WeakPolarHBondContact OD1-CB 3.48Å; D271-S273 PolarHBondContact OD1-N 3.4Å; D271-S273 PolarHBondContact OD1-OG 3.33Å; S273-Q275 PolarHBondContact O-N 3.19Å; S273-T486 WeakPolarHBondContact O-CA 3.41Å
274	V	94	Very high	92.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	91	177.2	-176.9	0	0	0	0	109.6	C272 L281 V282 V473 F479 V484 F488 I489	C272-V274 VanDerWaalsContact C-N 3.29Å; C272-V274 PolarHBondContact O-N 3.44Å; V274-L281 PolarHBondContact O-N 3.35Å; V274-V282 HydrophobicContact CB-CB 3.93Å; V274-V282 HydrophobicContact CG1-CB 3.89Å; V274-V282 HydrophobicContact CG1-CG2 4.01Å; V274-V282 HydrophobicContact CG2-CB 4.39Å; V274-V473 HydrophobicContact CG1-CG1 3.95Å; V274-F479 HydrophobicContact CG2-CD2 4Å; V274-F479 HydrophobicContact CG2-CE2 4.12Å; V274-V484 HydrophobicContact CG2-CB 4.39Å; V274-V484 HydrophobicContact CG2-CG2 4.06Å; V274-F488 HydrophobicContact CG1-CD1 4.39Å; V274-I489 HydrophobicContact CG1-CD1 3.95Å; V274-I489 HydrophobicContact CG1-CG1 4.38Å
275	Q	90	Very high	92.3	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.042	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.7	-172.9	-55.9	-175.7	0.5	0	0	112	H251 C272 S273 Q279 K280 I489	H251-Q275 PolarHBondContact ND1-NE2 2.92Å; H251-Q275 VanDerWaalsContact ND1-NE2 3.16Å; C272-Q275 WeakPolarHBondContact O-CG 3.5Å; C272-Q275 PolarHBondContact O-NE2 3Å; S273-Q275 PolarHBondContact O-N 3.19Å; Q275-Q279 CarbonylContact C-O 3.57Å; Q275-Q279 WeakPolarHBondContact CA-O 3.39Å; Q275-K280 HydrophobicContact CG-CG 4.43Å; Q275-I489 WeakPolarHBondContact O-CD1 3.27Å
276	R	82.3	Confident	92.2	Very high	28 Å²	28	26.6 Å²	26.6	11%	0.106	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	122	169.9	-177.2	-168.5	72.9	101.5	-4.8	108.6	H278 Q279 L281 E389 F395 I489	R276-H278 PolarHBondContact O-N 2.63Å; R276-Q279 PolarHBondContact N-O 3.21Å; R276-Q279 WeakPolarHBondContact O-CB 3.34Å; R276-Q279 PolarHBondContact O-N 3.12Å; R276-L281 HydrophobicContact CB-CD1 3.54Å; R276-E389 IonicContact NH2-OE1 3.63Å; R276-F395 VanDerWaalsContact CD-CD2 3.48Å; R276-F395 VanDerWaalsContact CD-CE2 3.42Å; R276-F395 VanDerWaalsContact CZ-CB 3.48Å; R276-I489 HydrophobicContact CB-CD1 4.22Å; R276-I489 HydrophobicContact CB-CG2 4.47Å; R276-I489 HydrophobicContact CG-CG2 4.47Å
277	R	74	Confident	92.1	Very high	177 Å²	177	25.6 Å²	25.6	67%	0.668	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	44.1	-176.1	-60.1	-177.7	179	-179.5	1.2	112.4	Q279	R277-Q279 PolarHBondContact O-N 3.4Å
278	H	72.6	Confident	91.9	Very high	137 Å²	137	25.8 Å²	25.8	63%	0.634	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	15.4	-176.9	-46.8	-63.4	0	0	0	116.1	R276	R276-H278 PolarHBondContact O-N 2.63Å
279	Q	78.5	Confident	91.5	Very high	96 Å²	96	28 Å²	28	45%	0.449	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.1	172.6	-171.2	178.1	-4.8	0	0	110.5	Q275 R276 R277	Q275-Q279 CarbonylContact C-O 3.57Å; Q275-Q279 WeakPolarHBondContact CA-O 3.39Å; R276-Q279 PolarHBondContact N-O 3.21Å; R276-Q279 WeakPolarHBondContact O-CB 3.34Å; R276-Q279 PolarHBondContact O-N 3.12Å; R277-Q279 PolarHBondContact O-N 3.4Å
280	K	90.2	Very high	91.2	Very high	26 Å²	26	28.2 Å²	28.2	11%	0.113	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	131	176.7	-58	175.9	-174.9	176.6	0	111	E253 C272 Q275 E318 E340	E253-K280 IonicContact OE1-NZ 2.62Å; E253-K280 IonicContact OE2-NZ 3.79Å; E253-K280 PolarHBondContact OE2-NZ 2.58Å; C272-K280 HydrophobicContact CB-CD 3.74Å; C272-K280 HydrophobicContact CB-CG 4.07Å; Q275-K280 HydrophobicContact CG-CG 4.43Å; K280-E318 IonicContact NZ-OE1 3.64Å; K280-E318 PolarHBondContact NZ-OE1 3.49Å; K280-E340 WeakPolarHBondContact CD-OE1 3.4Å; K280-E340 IonicContact NZ-OE1 2.77Å; K280-E340 PolarHBondContact NZ-OE1 3.44Å
281	L	90	Very high	90.9	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-41.9	-178.8	-78.3	169.2	0	0	0	113.1	V274 R276 F469 I489	V274-L281 PolarHBondContact O-N 3.35Å; R276-L281 HydrophobicContact CB-CD1 3.54Å; L281-F469 HydrophobicContact CD1-CE1 4.08Å; L281-I489 HydrophobicContact CD1-CD1 3.54Å
282	V	96.7	Very high	90.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.8	178	-177.3	0	0	0	0	108.4	V274 I382 Q383 L470 V473 I474 F479	V274-V282 HydrophobicContact CB-CB 3.93Å; V274-V282 HydrophobicContact CG1-CB 3.89Å; V274-V282 HydrophobicContact CG1-CG2 4.01Å; V274-V282 HydrophobicContact CG2-CB 4.39Å; V282-I382 HydrophobicContact CG1-CG2 3.7Å; V282-Q383 WeakPolarHBondContact CA-O 3.28Å; V282-Q383 WeakPolarHBondContact CG1-O 3.44Å; V282-L470 HydrophobicContact CG2-CD2 4.03Å; V282-V473 HydrophobicContact CG2-CG1 4.11Å; V282-I474 HydrophobicContact CG1-CD1 4.21Å; V282-F479 HydrophobicContact CG1-CE2 3.78Å; V282-F479 HydrophobicContact CG1-CZ 4Å
283	E	97.8	Very high	90.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.9	-179.2	-52.8	88.1	-169.9	0	0	110.3	D271 C272 E340 I382 Q383 R385	D271-E283 WeakPolarHBondContact O-CA 3.31Å; C272-E283 HydrophobicContact CB-CG 4.45Å; E283-E340 HydrophobicContact CB-CB 3.84Å; E283-E340 HydrophobicContact CG-CB 3.65Å; E283-E340 HydrophobicContact CG-CG 4.12Å; E283-I382 CarbonylContact O-C 3.54Å; E283-I382 WeakPolarHBondContact O-CA 3.42Å; E283-Q383 PolarHBondContact N-O 2.61Å; E283-Q383 VanDerWaalsContact N-O 3.08Å; E283-Q383 PolarHBondContact O-N 3.5Å; E283-Q383 WeakPolarHBondContact OE2-CG 3.31Å; E283-Q383 PolarHBondContact OE2-NE2 3.23Å; E283-R385 IonicContact OE1-CZ 3.19Å; E283-R385 IonicContact OE1-NE 3.12Å; E283-R385 PolarHBondContact OE1-NE 2.82Å; E283-R385 IonicContact OE1-NH2 3.12Å; E283-R385 PolarHBondContact OE1-NH2 3.35Å; E283-R385 IonicContact OE2-NE 2.95Å; E283-R385 IonicContact OE2-NH2 3.75Å
284	I	98.2	Very high	90.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.1	-174.8	-49.4	162.9	0	0	0	109.3	R270 D271 P288 A381 I382 F444 F479	R270-I284 CarbonylContact C-O 3.53Å; R270-I284 VanDerWaalsContact CA-O 3.25Å; R270-I284 WeakPolarHBondContact CA-O 3.24Å; D271-I284 HydrophobicContact CB-CB 4.4Å; D271-I284 PolarHBondContact N-O 3.42Å; D271-I284 PolarHBondContact O-N 3.37Å; I284-P288 HydrophobicContact CD1-CG 4.17Å; I284-P288 HydrophobicContact CG2-CG 4.38Å; I284-A381 CarbonylContact C-O 3.57Å; I284-A381 WeakPolarHBondContact CA-O 3.49Å; I284-I382 HydrophobicContact CG1-CG1 4.47Å; I284-I382 HydrophobicContact CG2-CG1 4.33Å; I284-F444 HydrophobicContact CD1-CE2 3.75Å; I284-F444 HydrophobicContact CD1-CZ 3.83Å; I284-F444 HydrophobicContact CG1-CE2 4.12Å; I284-F444 HydrophobicContact CG2-CD2 3.93Å; I284-F444 HydrophobicContact CG2-CE2 3.63Å; I284-F479 HydrophobicContact CD1-CE2 3.72Å; I284-F479 HydrophobicContact CD1-CZ 3.97Å; I284-F479 HydrophobicContact CG1-CE2 4.3Å; I284-F479 HydrophobicContact CG1-CZ 4.31Å
285	A	97.8	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.9	170.7	0	0	0	0	0	111	R270 V343 I347 F380 A381	R270-A285 HydrophobicContact CG-CB 4.03Å; A285-V343 HydrophobicContact CB-CB 3.73Å; A285-V343 HydrophobicContact CB-CG2 3.69Å; A285-I347 HydrophobicContact CB-CD1 3.63Å; A285-I347 HydrophobicContact CB-CG1 4.32Å; A285-I347 HydrophobicContact CB-CG2 4.44Å; A285-I347 WeakPolarHBondContact O-CG2 3.47Å; A285-F380 CarbonylContact O-C 3.5Å; A285-F380 WeakPolarHBondContact O-CA 3.46Å; A285-A381 PolarHBondContact N-O 3.1Å; A285-A381 PolarHBondContact O-N 3.15Å
286	P	97.1	Very high	90.9	Very high	12 Å²	12	51.9 Å²	51.9	8%	0.078	26%	0.258	C	S	.	.	S	Bend	cis	-64.8	173.3	-20.1	31.8	-35.1	0	0	0	110.9	E269 P288 I347 G379 F380	E269-P286 WeakPolarHBondContact OE1-CB 3.36Å; P286-P288 WeakPolarHBondContact O-CD 3.33Å; P286-I347 HydrophobicContact CB-CD1 4.41Å; P286-G379 VanDerWaalsContact CD-O 3.25Å; P286-G379 WeakPolarHBondContact CD-O 3.17Å; P286-F380 HydrophobicContact CG-CD1 4.23Å; P286-F380 HydrophobicContact CG-CE1 3.99Å
287	A	95.9	Very high	91.5	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-66	119.8	-179.8	0	0	0	0	0	111.2	I252 E269 D271 L290 R295	I252-A287 HydrophobicContact CD1-CB 3.91Å; E269-A287 HydrophobicContact CG-CB 3.77Å; E269-A287 PolarHBondContact OE1-N 3.08Å; D271-A287 HydrophobicContact CB-CB 3.85Å; A287-L290 HydrophobicContact CB-CB 3.98Å; A287-L290 HydrophobicContact CB-CD2 3.93Å; A287-R295 PolarHBondContact O-NH2 2.75Å
288	P	93.5	Very high	92.5	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.032	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	144.4	-178.7	27.8	-33.6	0	0	0	110.5	R250 I284 P286 L290 F380 F444	R250-P288 PolarHBondContact NH1-O 3.49Å; R250-P288 PolarHBondContact NH2-O 2.83Å; I284-P288 HydrophobicContact CD1-CG 4.17Å; I284-P288 HydrophobicContact CG2-CG 4.38Å; P286-P288 WeakPolarHBondContact O-CD 3.33Å; P288-L290 PolarHBondContact O-N 3.04Å; P288-F380 HydrophobicContact CB-CE1 4.35Å; P288-F444 HydrophobicContact CB-CD1 4.24Å; P288-F444 HydrophobicContact CB-CE1 4.39Å; P288-F444 HydrophobicContact CB-CG 4.37Å; P288-F444 HydrophobicContact CG-CE1 4.36Å; P288-F444 HydrophobicContact CG-CE2 4.44Å; P288-F444 HydrophobicContact CG-CZ 4.26Å
289	S	89.2	Confident	93.7	Very high	88 Å²	88	38.1 Å²	38.1	62%	0.615	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	23.6	176.5	-51.8	0	0	0	0	115	S481	S289-S481 PolarHBondContact OG-O 3.38Å
290	L	91.9	Very high	94.6	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	21%	0.209	C	C	.	.			trans	-79.9	128.9	173.4	-175.4	64.9	0	0	0	110	E269 A287 P288 I294 R295 L298 Y321	E269-L290 HydrophobicContact CG-CD2 3.97Å; A287-L290 HydrophobicContact CB-CB 3.98Å; A287-L290 HydrophobicContact CB-CD2 3.93Å; P288-L290 PolarHBondContact O-N 3.04Å; L290-I294 HydrophobicContact CD1-CG2 4.11Å; L290-R295 HydrophobicContact CD2-CB 3.9Å; L290-R295 HydrophobicContact CD2-CG 4.46Å; L290-R295 HydrophobicContact CG-CB 4.29Å; L290-L298 HydrophobicContact CD2-CD1 4.19Å; L290-Y321 HydrophobicContact CD1-CD1 3.81Å; L290-Y321 HydrophobicContact CD1-CE1 3.71Å
291	D	90.7	Very high	94.9	Very high	73 Å²	73	36.2 Å²	36.2	39%	0.39	21%	0.207	S	C	.	.			trans	-54.7	126.6	177.8	-179.5	-73.6	0	0	0	110.4	T293 I294 R295	D291-T293 PolarHBondContact O-N 3.02Å; D291-T293 VanDerWaalsContact OD1-CA 3.28Å; D291-T293 WeakPolarHBondContact OD1-CA 3.45Å; D291-T293 WeakPolarHBondContact OD1-CB 3.43Å; D291-T293 PolarHBondContact OD1-N 3.17Å; D291-T293 PolarHBondContact OD1-OG1 2.9Å; D291-T293 VanDerWaalsContact OD1-OG1 3.11Å; D291-I294 HydrophobicContact CB-CB 4.08Å; D291-I294 HydrophobicContact CB-CG1 3.84Å; D291-I294 PolarHBondContact O-N 2.94Å; D291-I294 VanDerWaalsContact O-N 3.08Å; D291-I294 PolarHBondContact OD1-N 3.18Å; D291-I294 VanDerWaalsContact OD1-N 3.17Å; D291-R295 PolarHBondContact O-N 3.3Å
292	P	93	Very high	95.2	Very high	94 Å²	94	36 Å²	36	61%	0.61	21%	0.206	S	C	*	.	H	α-helix	trans	-58.5	-31.4	-176.8	-27.1	35.2	0	0	0	114.4	K296	P292-K296 WeakPolarHBondContact O-CB 3.24Å; P292-K296 PolarHBondContact O-N 3.34Å
293	T	94	Very high	95.2	Very high	98 Å²	98	37.5 Å²	37.5	60%	0.601	22%	0.215	S	C	*	.	H	α-helix	trans	-69.2	-45.5	176.3	-41.6	0	0	0	0	110	D291 K296 S297	D291-T293 PolarHBondContact O-N 3.02Å; D291-T293 VanDerWaalsContact OD1-CA 3.28Å; D291-T293 WeakPolarHBondContact OD1-CA 3.45Å; D291-T293 WeakPolarHBondContact OD1-CB 3.43Å; D291-T293 PolarHBondContact OD1-N 3.17Å; D291-T293 PolarHBondContact OD1-OG1 2.9Å; D291-T293 VanDerWaalsContact OD1-OG1 3.11Å; T293-K296 PolarHBondContact O-N 3.25Å; T293-S297 PolarHBondContact O-N 3.29Å; T293-S297 PolarHBondContact O-OG 3.23Å
294	I	94.2	Very high	95.1	Very high	27 Å²	27	42.1 Å²	42.1	14%	0.138	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-43.8	176.1	-61.2	-60.2	0	0	0	110.9	L290 D291 K296 S297 L298 Y321 G326 Y328	L290-I294 HydrophobicContact CD1-CG2 4.11Å; D291-I294 HydrophobicContact CB-CB 4.08Å; D291-I294 HydrophobicContact CB-CG1 3.84Å; D291-I294 PolarHBondContact O-N 2.94Å; D291-I294 VanDerWaalsContact O-N 3.08Å; D291-I294 PolarHBondContact OD1-N 3.18Å; D291-I294 VanDerWaalsContact OD1-N 3.17Å; I294-K296 PolarHBondContact O-N 3.07Å; I294-S297 PolarHBondContact O-N 3.02Å; I294-L298 HydrophobicContact CG2-CD1 3.83Å; I294-L298 HydrophobicContact CG2-CG 4.32Å; I294-L298 WeakPolarHBondContact O-CB 3.46Å; I294-L298 WeakPolarHBondContact O-CG 3.21Å; I294-L298 PolarHBondContact O-N 2.84Å; I294-Y321 HydrophobicContact CD1-CE2 4.48Å; I294-Y321 HydrophobicContact CG1-CE2 4.2Å; I294-Y321 HydrophobicContact CG2-CD2 4.05Å; I294-Y321 HydrophobicContact CG2-CE2 3.84Å; I294-G326 WeakPolarHBondContact CD1-O 3.39Å; I294-Y328 HydrophobicContact CG2-CD1 4.04Å
295	R	95.7	Very high	95	Very high	54 Å²	54	42.1 Å²	42.1	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-53.9	-53.5	173.3	175.7	179.7	-75.8	123.9	3	110.6	E269 A287 L290 D291 S297 L298 L299	E269-R295 VanDerWaalsContact CD-NE 3.31Å; E269-R295 IonicContact OE1-CZ 3.77Å; E269-R295 IonicContact OE1-NE 2.98Å; E269-R295 PolarHBondContact OE1-NE 3.2Å; E269-R295 IonicContact OE1-NH2 2.76Å; E269-R295 PolarHBondContact OE1-NH2 2.96Å; E269-R295 IonicContact OE2-NE 2.99Å; E269-R295 PolarHBondContact OE2-NE 3.02Å; A287-R295 PolarHBondContact O-NH2 2.75Å; L290-R295 HydrophobicContact CD2-CB 3.9Å; L290-R295 HydrophobicContact CD2-CG 4.46Å; L290-R295 HydrophobicContact CG-CB 4.29Å; D291-R295 PolarHBondContact O-N 3.3Å; R295-S297 VanDerWaalsContact C-N 3.28Å; R295-S297 PolarHBondContact O-N 3.36Å; R295-L298 PolarHBondContact O-N 3.45Å; R295-L299 HydrophobicContact CG-CD1 3.66Å; R295-L299 HydrophobicContact CG-CG 4.27Å; R295-L299 WeakPolarHBondContact O-CB 3.2Å; R295-L299 WeakPolarHBondContact O-CG 3.37Å; R295-L299 PolarHBondContact O-N 2.78Å
296	K	95.7	Very high	94.8	Very high	162 Å²	162	42.2 Å²	42.2	70%	0.704	23%	0.233	S	C	*	.	H	α-helix	trans	-57.2	-42.2	-179.7	-173.6	178.5	-180	179.9	0	112.1	P292 T293 I294 S300	P292-K296 WeakPolarHBondContact O-CB 3.24Å; P292-K296 PolarHBondContact O-N 3.34Å; T293-K296 PolarHBondContact O-N 3.25Å; I294-K296 PolarHBondContact O-N 3.07Å; K296-S300 WeakPolarHBondContact O-CB 3.44Å; K296-S300 PolarHBondContact O-N 3.31Å
297	S	95.4	Very high	94.7	Very high	43 Å²	43	44 Å²	44	30%	0.301	25%	0.246	S	C	.	.	H	α-helix	trans	-68	-45.3	179.5	-56.2	0	0	0	0	112.3	T293 I294 R295 L299 S300 D301 Y328	T293-S297 PolarHBondContact O-N 3.29Å; T293-S297 PolarHBondContact O-OG 3.23Å; I294-S297 PolarHBondContact O-N 3.02Å; R295-S297 VanDerWaalsContact C-N 3.28Å; R295-S297 PolarHBondContact O-N 3.36Å; S297-L299 VanDerWaalsContact C-N 3.33Å; S297-L299 PolarHBondContact O-N 3.43Å; S297-S300 PolarHBondContact O-N 2.91Å; S297-D301 WeakPolarHBondContact O-CB 3.16Å; S297-D301 VanDerWaalsContact O-CG 3.24Å; S297-D301 PolarHBondContact O-N 3.17Å; S297-Y328 WeakPolarHBondContact CB-OH 3.43Å; S297-Y328 PolarHBondContact O-OH 3.2Å
298	L	94.9	Very high	94.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-55.6	-47.7	174.2	-80.8	164.7	0	0	0	111.9	I252 V254 L290 I294 R295 D301 A302 F319 Y328	I252-L298 HydrophobicContact CB-CD1 4.45Å; I252-L298 HydrophobicContact CG2-CD1 3.93Å; V254-L298 HydrophobicContact CG2-CB 4.46Å; L290-L298 HydrophobicContact CD2-CD1 4.19Å; I294-L298 HydrophobicContact CG2-CD1 3.83Å; I294-L298 HydrophobicContact CG2-CG 4.32Å; I294-L298 WeakPolarHBondContact O-CB 3.46Å; I294-L298 WeakPolarHBondContact O-CG 3.21Å; I294-L298 PolarHBondContact O-N 2.84Å; R295-L298 PolarHBondContact O-N 3.45Å; L298-D301 PolarHBondContact O-N 2.83Å; L298-A302 WeakPolarHBondContact O-CB 3.43Å; L298-A302 PolarHBondContact O-N 2.76Å; L298-F319 HydrophobicContact CD2-CB 3.66Å; L298-F319 HydrophobicContact CD2-CD1 3.73Å; L298-F319 HydrophobicContact CD2-CD2 3.5Å; L298-F319 HydrophobicContact CD2-CE1 4.19Å; L298-F319 HydrophobicContact CD2-CE2 3.99Å; L298-F319 HydrophobicContact CD2-CG 3.35Å; L298-F319 HydrophobicContact CD2-CZ 4.3Å; L298-Y328 HydrophobicContact CD2-CD1 4.2Å; L298-Y328 HydrophobicContact CD2-CD2 3.3Å; L298-Y328 HydrophobicContact CD2-CE2 3.77Å; L298-Y328 HydrophobicContact CD2-CG 3.56Å; L298-Y328 HydrophobicContact CG-CD1 4.13Å; L298-Y328 HydrophobicContact CG-CD2 4.04Å; L298-Y328 HydrophobicContact CG-CE1 4.31Å; L298-Y328 HydrophobicContact CG-CE2 4.22Å; L298-Y328 HydrophobicContact CG-CG 3.99Å
299	L	97.2	Very high	94.6	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-44.2	-179	-64.8	174.7	0	0	0	111.6	V254 H266 Y268 E269 R295 S297 D301 A302 V303	V254-L299 HydrophobicContact CB-CD2 4.4Å; V254-L299 HydrophobicContact CG1-CD2 3.59Å; V254-L299 HydrophobicContact CG2-CD2 3.93Å; H266-L299 HydrophobicContact CB-CD2 4.37Å; Y268-L299 HydrophobicContact CD1-CD1 3.99Å; Y268-L299 HydrophobicContact CE1-CD1 4.24Å; E269-L299 HydrophobicContact CB-CD2 4.43Å; R295-L299 HydrophobicContact CG-CD1 3.66Å; R295-L299 HydrophobicContact CG-CG 4.27Å; R295-L299 WeakPolarHBondContact O-CB 3.2Å; R295-L299 WeakPolarHBondContact O-CG 3.37Å; R295-L299 PolarHBondContact O-N 2.78Å; S297-L299 VanDerWaalsContact C-N 3.33Å; S297-L299 PolarHBondContact O-N 3.43Å; L299-D301 VanDerWaalsContact C-N 3.35Å; L299-D301 PolarHBondContact O-N 2.64Å; L299-A302 PolarHBondContact O-N 3.04Å; L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 3.44Å; L299-V303 VanDerWaalsContact O-N 3.15Å
300	S	96.7	Very high	94.7	Very high	69 Å²	69	47.8 Å²	47.8	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-39.2	176.4	-172.6	0	0	0	0	112.2	K296 S297 R304	K296-S300 WeakPolarHBondContact O-CB 3.44Å; K296-S300 PolarHBondContact O-N 3.31Å; S297-S300 PolarHBondContact O-N 2.91Å; S300-R304 VanDerWaalsContact O-CB 3.23Å; S300-R304 WeakPolarHBondContact O-CB 3.12Å; S300-R304 PolarHBondContact O-N 2.8Å
301	D	97	Very high	94.9	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-41.4	179.1	-77.5	2.7	0	0	0	111.7	V171 S297 L298 L299 R304 L305 F319 Y328	V171-D301 HydrophobicContact CG1-CB 4.14Å; V171-D301 HydrophobicContact CG2-CB 3.94Å; S297-D301 WeakPolarHBondContact O-CB 3.16Å; S297-D301 VanDerWaalsContact O-CG 3.24Å; S297-D301 PolarHBondContact O-N 3.17Å; L298-D301 PolarHBondContact O-N 2.83Å; L299-D301 VanDerWaalsContact C-N 3.35Å; L299-D301 PolarHBondContact O-N 2.64Å; D301-R304 PolarHBondContact O-N 3.27Å; D301-R304 IonicContact OD1-CZ 3.8Å; D301-R304 IonicContact OD1-NE 3.78Å; D301-R304 IonicContact OD1-NH2 2.73Å; D301-R304 PolarHBondContact OD1-NH2 2.92Å; D301-R304 IonicContact OD2-NH2 3.7Å; D301-L305 WeakPolarHBondContact O-CB 3.46Å; D301-L305 PolarHBondContact O-N 2.86Å; D301-F319 HydrophobicContact CB-CE1 4.48Å; D301-F319 HydrophobicContact CB-CZ 4.29Å; D301-Y328 VanDerWaalsContact OD2-CE2 3.28Å; D301-Y328 WeakPolarHBondContact OD2-CE2 3.36Å; D301-Y328 PolarHBondContact OD2-OH 2.67Å
302	A	96.8	Very high	95.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-47.4	175.7	0	0	0	0	0	112.2	V254 I256 L298 L299 R304 L305 A306 V317 F319	V254-A302 HydrophobicContact CB-CB 3.61Å; V254-A302 HydrophobicContact CG1-CB 3.58Å; V254-A302 HydrophobicContact CG2-CB 4.02Å; I256-A302 HydrophobicContact CG2-CB 4.29Å; L298-A302 WeakPolarHBondContact O-CB 3.43Å; L298-A302 PolarHBondContact O-N 2.76Å; L299-A302 PolarHBondContact O-N 3.04Å; A302-R304 VanDerWaalsContact C-N 3.35Å; A302-R304 PolarHBondContact O-N 2.93Å; A302-L305 PolarHBondContact O-N 3Å; A302-A306 VanDerWaalsContact O-CB 3.32Å; A302-A306 WeakPolarHBondContact O-CB 3.26Å; A302-A306 PolarHBondContact O-N 2.86Å; A302-V317 HydrophobicContact CB-CB 3.91Å; A302-V317 HydrophobicContact CB-CG1 4.33Å; A302-V317 HydrophobicContact CB-CG2 3.93Å; A302-F319 HydrophobicContact CB-CE2 4.21Å; A302-F319 HydrophobicContact CB-CZ 4.33Å
303	V	96.6	Very high	95.3	Very high	31 Å²	31	42.4 Å²	42.4	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-42.2	177.2	172.8	0	0	0	0	111	V264 H266 L299 A306 S307	V264-V303 HydrophobicContact CB-CG1 4.22Å; V264-V303 HydrophobicContact CG1-CG1 4.18Å; H266-V303 HydrophobicContact CB-CG2 3.89Å; L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 3.44Å; L299-V303 VanDerWaalsContact O-N 3.15Å; V303-A306 PolarHBondContact O-N 2.88Å; V303-S307 VanDerWaalsContact O-CB 3.31Å; V303-S307 WeakPolarHBondContact O-CB 3.49Å; V303-S307 PolarHBondContact O-N 3.2Å; V303-S307 PolarHBondContact O-OG 2.88Å
304	R	96	Very high	95.4	Very high	96 Å²	96	37.7 Å²	37.7	36%	0.362	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-43.8	178.8	-179.8	167.7	51.8	142.4	8.5	112.4	A169 N170 S300 D301 A302 S307 S308	A169-R304 WeakPolarHBondContact O-CD 3.4Å; A169-R304 PolarHBondContact O-NE 3.47Å; A169-R304 PolarHBondContact O-NH1 2.93Å; N170-R304 VanDerWaalsContact CB-NH1 3.29Å; N170-R304 PolarHBondContact O-NH1 2.89Å; N170-R304 PolarHBondContact O-NH2 3.44Å; S300-R304 VanDerWaalsContact O-CB 3.23Å; S300-R304 WeakPolarHBondContact O-CB 3.12Å; S300-R304 PolarHBondContact O-N 2.8Å; D301-R304 PolarHBondContact O-N 3.27Å; D301-R304 IonicContact OD1-CZ 3.8Å; D301-R304 IonicContact OD1-NE 3.78Å; D301-R304 IonicContact OD1-NH2 2.73Å; D301-R304 PolarHBondContact OD1-NH2 2.92Å; D301-R304 IonicContact OD2-NH2 3.7Å; A302-R304 VanDerWaalsContact C-N 3.35Å; A302-R304 PolarHBondContact O-N 2.93Å; R304-S307 PolarHBondContact O-N 3.07Å; R304-S308 WeakPolarHBondContact O-CB 3.11Å; R304-S308 PolarHBondContact O-N 3.48Å
305	L	95.5	Very high	95.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-50.5	174.6	175.6	53.6	0	0	0	111.1	A165 A166 A169 V171 D301 A302 S307 S308 V317 F330 V333	A165-L305 HydrophobicContact CB-CD1 4.15Å; A166-L305 HydrophobicContact CB-CD1 4.34Å; A166-L305 HydrophobicContact CB-CD2 4.33Å; A169-L305 HydrophobicContact CB-CB 4.5Å; A169-L305 HydrophobicContact CB-CD1 4.19Å; V171-L305 HydrophobicContact CG2-CB 4.18Å; D301-L305 WeakPolarHBondContact O-CB 3.46Å; D301-L305 PolarHBondContact O-N 2.86Å; A302-L305 PolarHBondContact O-N 3Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 2.97Å; L305-S308 PolarHBondContact O-N 3.31Å; L305-S308 VanDerWaalsContact O-N 3.15Å; L305-S308 PolarHBondContact O-OG 3.35Å; L305-V317 HydrophobicContact CD2-CG1 3.91Å; L305-F330 HydrophobicContact CD2-CD2 3.74Å; L305-F330 HydrophobicContact CD2-CE2 3.48Å; L305-F330 VanDerWaalsContact CD2-CE2 3.48Å; L305-F330 HydrophobicContact CD2-CZ 4.09Å; L305-V333 HydrophobicContact CD2-CG2 3.9Å
306	A	95	Very high	95.6	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-43.5	178.4	0	0	0	0	0	112.5	I256 V264 A302 V303 S308 V309 D310 Y311	I256-A306 HydrophobicContact CD1-CB 3.49Å; I256-A306 VanDerWaalsContact CD1-CB 3.49Å; V264-A306 HydrophobicContact CG1-CB 3.81Å; V264-A306 HydrophobicContact CG2-CB 4.4Å; A302-A306 VanDerWaalsContact O-CB 3.32Å; A302-A306 WeakPolarHBondContact O-CB 3.26Å; A302-A306 PolarHBondContact O-N 2.86Å; V303-A306 PolarHBondContact O-N 2.88Å; A306-S308 VanDerWaalsContact C-N 3.31Å; A306-S308 PolarHBondContact O-N 3.48Å; A306-V309 WeakPolarHBondContact O-CG2 3.48Å; A306-V309 PolarHBondContact O-N 2.76Å; A306-D310 PolarHBondContact O-N 2.92Å; A306-Y311 HydrophobicContact CB-CG 4.45Å; A306-Y311 VanDerWaalsContact O-CB 3.23Å; A306-Y311 WeakPolarHBondContact O-CB 3.03Å; A306-Y311 PolarHBondContact O-N 2.95Å
307	S	94.6	Very high	95.6	Very high	50 Å²	50	26.2 Å²	26.2	35%	0.35	15%	0.149	S	C	.	.	H	α-helix	trans	-64.3	-36.1	177	-55	0	0	0	0	111.9	V303 R304 L305 V309 D310	V303-S307 VanDerWaalsContact O-CB 3.31Å; V303-S307 WeakPolarHBondContact O-CB 3.49Å; V303-S307 PolarHBondContact O-N 3.2Å; V303-S307 PolarHBondContact O-OG 2.88Å; R304-S307 PolarHBondContact O-N 3.07Å; L305-S307 VanDerWaalsContact C-N 3.33Å; L305-S307 PolarHBondContact O-N 2.97Å; S307-V309 PolarHBondContact O-N 2.96Å; S307-D310 PolarHBondContact O-N 3.43Å
308	S	93.6	Very high	95.7	Very high	57 Å²	57	24.5 Å²	24.5	40%	0.399	14%	0.137	S	C	.	.	H	α-helix	trans	-67.5	-14.8	-179.2	77.1	0	0	0	0	114.6	R304 L305 A306	R304-S308 WeakPolarHBondContact O-CB 3.11Å; R304-S308 PolarHBondContact O-N 3.48Å; L305-S308 PolarHBondContact O-N 3.31Å; L305-S308 VanDerWaalsContact O-N 3.15Å; L305-S308 PolarHBondContact O-OG 3.35Å; A306-S308 VanDerWaalsContact C-N 3.31Å; A306-S308 PolarHBondContact O-N 3.48Å
309	V	92.6	Very high	95.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	14.5	-178.8	-54.8	0	0	0	0	112.8	V152 M156 A165 A306 S307 Y311	V152-V309 WeakPolarHBondContact CG2-O 3.35Å; M156-V309 HydrophobicContact CE-CB 3.99Å; M156-V309 HydrophobicContact CE-CG1 3.6Å; M156-V309 HydrophobicContact CE-CG2 3.97Å; M156-V309 HydrophobicContact SD-CG2 4.17Å; A165-V309 HydrophobicContact CB-CG1 3.96Å; A306-V309 WeakPolarHBondContact O-CG2 3.48Å; A306-V309 PolarHBondContact O-N 2.76Å; S307-V309 PolarHBondContact O-N 2.96Å; V309-Y311 HydrophobicContact CG2-CD2 4.41Å; V309-Y311 PolarHBondContact O-N 3.3Å
310	D	92.6	Very high	95.5	Very high	116 Å²	116	25.5 Å²	25.5	62%	0.62	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	45.3	-177.6	-53.4	-55.5	0	0	0	111.3	A306 S307 E312	A306-D310 PolarHBondContact O-N 2.92Å; S307-D310 PolarHBondContact O-N 3.43Å; D310-E312 PolarHBondContact O-N 3.47Å
311	Y	95.1	Very high	95.4	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.012	12%	0.123	C	C	.	.			trans	-63.1	124.8	-174.9	-165	-79.5	0	0	0	110.6	P148 V152 I256 G258 A306 V309 A314 G315 V333 A335	P148-Y311 HydrophobicContact CB-CE2 4.42Å; P148-Y311 HydrophobicContact CG-CE1 3.92Å; P148-Y311 HydrophobicContact CG-CE2 3.9Å; P148-Y311 VanDerWaalsContact CG-CZ 3.41Å; P148-Y311 WeakPolarHBondContact CG-OH 3.38Å; V152-Y311 HydrophobicContact CG1-CD2 3.75Å; V152-Y311 HydrophobicContact CG1-CE2 4.09Å; I256-Y311 HydrophobicContact CD1-CD1 3.78Å; I256-Y311 HydrophobicContact CD1-CD2 4.24Å; I256-Y311 HydrophobicContact CD1-CE1 3.94Å; I256-Y311 HydrophobicContact CD1-CE2 4.37Å; I256-Y311 HydrophobicContact CD1-CG 3.96Å; I256-Y311 HydrophobicContact CG1-CD1 4.5Å; I256-Y311 HydrophobicContact CG1-CE1 4.39Å; G258-Y311 WeakPolarHBondContact CA-O 3.31Å; A306-Y311 HydrophobicContact CB-CG 4.45Å; A306-Y311 VanDerWaalsContact O-CB 3.23Å; A306-Y311 WeakPolarHBondContact O-CB 3.03Å; A306-Y311 PolarHBondContact O-N 2.95Å; V309-Y311 HydrophobicContact CG2-CD2 4.41Å; V309-Y311 PolarHBondContact O-N 3.3Å; Y311-A314 PolarHBondContact OH-O 2.81Å; Y311-G315 WeakPolarHBondContact OH-CA 3.2Å; Y311-G315 PolarHBondContact OH-N 3.01Å; Y311-V333 HydrophobicContact CE2-CG1 3.93Å; Y311-A335 HydrophobicContact CE2-CB 4.47Å; Y311-A335 VanDerWaalsContact OH-C 3.32Å; Y311-A335 WeakPolarHBondContact OH-CA 3.26Å
312	E	95.1	Very high	95	Very high	52 Å²	52	23.5 Å²	23.5	24%	0.243	12%	0.124	C	C	.	.			trans	-107.9	154.5	174	-59.8	-178	-163.8	0	0	111.1	P148 K260 D310	P148-E312 WeakPolarHBondContact CA-O 3.38Å; P148-E312 WeakPolarHBondContact CG-O 3.47Å; K260-E312 WeakPolarHBondContact CE-OE2 3.29Å; K260-E312 HydrophobicContact CG-CG 4.5Å; K260-E312 WeakPolarHBondContact CG-OE2 3.33Å; D310-E312 PolarHBondContact O-N 3.47Å
313	N	96.7	Very high	94.4	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.027	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.6	-160.3	176.3	-145.2	-83.8	0	0	0	112.9	L257 G258 Q356	L257-N313 WeakPolarHBondContact CA-O 3.36Å; G258-N313 PolarHBondContact N-O 2.85Å; G258-N313 PolarHBondContact O-N 3.38Å; N313-Q356 PolarHBondContact ND2-O 3.4Å; N313-Q356 WeakPolarHBondContact OD1-CB 3.34Å; N313-Q356 WeakPolarHBondContact OD1-CG 3.37Å; N313-Q356 PolarHBondContact OD1-NE2 3.08Å
314	A	97	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	143.5	178.8	0	0	0	0	0	112.5	I256 L257 Y311 L337 Q356	I256-A314 WeakPolarHBondContact O-CA 3.33Å; L257-A314 HydrophobicContact CD2-CB 3.77Å; Y311-A314 PolarHBondContact OH-O 2.81Å; A314-L337 HydrophobicContact CB-CD1 4.49Å; A314-Q356 HydrophobicContact CB-CG 3.6Å
315	G	96	Very high	93.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	171.1	174.1	0	0	0	0	0	111.8	Q255 I256 Y311 N334	Q255-G315 PolarHBondContact NE2-O 2.95Å; I256-G315 VanDerWaalsContact CG1-C 3.44Å; I256-G315 WeakPolarHBondContact CG1-O 3.4Å; I256-G315 PolarHBondContact N-O 2.81Å; I256-G315 PolarHBondContact O-N 2.89Å; I256-G315 VanDerWaalsContact O-N 3.12Å; Y311-G315 WeakPolarHBondContact OH-CA 3.2Å; Y311-G315 PolarHBondContact OH-N 3.01Å; G315-N334 WeakPolarHBondContact CA-O 3.49Å
316	T	97.3	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132	171.5	-62.2	0	0	0	0	110.5	E253 V254 R270 E318 V333 N334 Q338	E253-T316 HydrophobicContact CB-CG2 3.58Å; E253-T316 HydrophobicContact CG-CG2 3.88Å; V254-T316 WeakPolarHBondContact O-CA 3.47Å; R270-T316 VanDerWaalsContact NH2-CG2 3.34Å; R270-T316 PolarHBondContact NH2-OG1 2.81Å; T316-E318 HydrophobicContact CG2-CG 4.23Å; T316-V333 CarbonylContact O-C 3.53Å; T316-V333 WeakPolarHBondContact O-CA 3.1Å; T316-N334 PolarHBondContact N-O 2.73Å; T316-N334 PolarHBondContact O-N 2.79Å; T316-Q338 VanDerWaalsContact CB-OE1 3.29Å; T316-Q338 VanDerWaalsContact CG2-OE1 3.24Å; T316-Q338 PolarHBondContact OG1-OE1 3.47Å; T316-Q338 VanDerWaalsContact OG1-OE1 3.05Å
317	V	96.7	Very high	92.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.8	172.9	-173.4	0	0	0	0	108.2	E253 V254 I256 A302 L305 F319 F330 V333	E253-V317 CarbonylContact C-O 3.58Å; E253-V317 VanDerWaalsContact CA-O 3.32Å; E253-V317 WeakPolarHBondContact CA-O 3.35Å; V254-V317 PolarHBondContact N-O 3.27Å; V254-V317 PolarHBondContact O-N 3.13Å; I256-V317 HydrophobicContact CD1-CG2 4.08Å; I256-V317 HydrophobicContact CG2-CG2 4.38Å; A302-V317 HydrophobicContact CB-CB 3.91Å; A302-V317 HydrophobicContact CB-CG1 4.33Å; A302-V317 HydrophobicContact CB-CG2 3.93Å; L305-V317 HydrophobicContact CD2-CG1 3.91Å; V317-F319 HydrophobicContact CB-CE2 3.99Å; V317-F319 HydrophobicContact CB-CZ 4.38Å; V317-F319 HydrophobicContact CG1-CD2 4.35Å; V317-F319 HydrophobicContact CG1-CE1 4.32Å; V317-F319 HydrophobicContact CG1-CE2 3.5Å; V317-F319 HydrophobicContact CG1-CZ 3.49Å; V317-F319 VanDerWaalsContact CG1-CZ 3.49Å; V317-F330 HydrophobicContact CG1-CD2 3.76Å; V317-F330 HydrophobicContact CG1-CE2 3.92Å; V317-V333 HydrophobicContact CG2-CG2 4.32Å
318	E	95.9	Very high	92.4	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.033	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.9	-176.6	-61.7	-164.2	167.3	0	0	112	H251 E253 K280 T316 I331 E332 N334 Q338	H251-E318 IonicContact CE1-OE2 3.69Å; H251-E318 PolarHBondContact CE1-OE2 3.09Å; H251-E318 VanDerWaalsContact NE2-CD 3.29Å; H251-E318 IonicContact NE2-OE1 3.34Å; H251-E318 IonicContact NE2-OE2 3.93Å; H251-E318 PolarHBondContact NE2-OE2 3.43Å; E253-E318 HydrophobicContact CB-CB 4.35Å; E253-E318 HydrophobicContact CB-CG 3.91Å; E253-E318 VanDerWaalsContact OE2-OE1 3.13Å; K280-E318 IonicContact NZ-OE1 3.64Å; K280-E318 PolarHBondContact NZ-OE1 3.49Å; T316-E318 HydrophobicContact CG2-CG 4.23Å; E318-I331 VanDerWaalsContact C-CG1 3.49Å; E318-I331 HydrophobicContact CB-CD1 3.71Å; E318-I331 HydrophobicContact CB-CG1 3.54Å; E318-I331 VanDerWaalsContact O-CG1 3.26Å; E318-I331 WeakPolarHBondContact O-CG1 3.44Å; E318-I331 PolarHBondContact O-N 3.14Å; E318-E332 HydrophobicContact CB-CG 4.08Å; E318-E332 HydrophobicContact CG-CG 4.19Å; E318-E332 PolarHBondContact N-O 3.31Å; E318-E332 WeakPolarHBondContact OE2-CG 3.26Å; E318-N334 PolarHBondContact OE1-ND2 2.95Å; E318-Q338 PolarHBondContact OE1-NE2 2.99Å
319	F	95.8	Very high	92.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.3	-179.5	-57.4	-92.5	0	0	0	112	V171 I252 V254 L298 D301 A302 V317 Y328 Y329 F330	V171-F319 HydrophobicContact CG1-CE1 3.88Å; I252-F319 PolarHBondContact N-O 3.3Å; I252-F319 CarbonylContact O-C 3.35Å; I252-F319 WeakPolarHBondContact O-CA 3.48Å; I252-F319 WeakPolarHBondContact O-CB 3.4Å; I252-F319 PolarHBondContact O-N 2.85Å; V254-F319 HydrophobicContact CG2-CD2 4.34Å; V254-F319 HydrophobicContact CG2-CE2 3.95Å; L298-F319 HydrophobicContact CD2-CB 3.66Å; L298-F319 HydrophobicContact CD2-CD1 3.73Å; L298-F319 HydrophobicContact CD2-CD2 3.5Å; L298-F319 HydrophobicContact CD2-CE1 4.19Å; L298-F319 HydrophobicContact CD2-CE2 3.99Å; L298-F319 HydrophobicContact CD2-CG 3.35Å; L298-F319 HydrophobicContact CD2-CZ 4.3Å; D301-F319 HydrophobicContact CB-CE1 4.48Å; D301-F319 HydrophobicContact CB-CZ 4.29Å; A302-F319 HydrophobicContact CB-CE2 4.21Å; A302-F319 HydrophobicContact CB-CZ 4.33Å; V317-F319 HydrophobicContact CB-CE2 3.99Å; V317-F319 HydrophobicContact CB-CZ 4.38Å; V317-F319 HydrophobicContact CG1-CD2 4.35Å; V317-F319 HydrophobicContact CG1-CE1 4.32Å; V317-F319 HydrophobicContact CG1-CE2 3.5Å; V317-F319 HydrophobicContact CG1-CZ 3.49Å; V317-F319 VanDerWaalsContact CG1-CZ 3.49Å; F319-Y328 AromaticContact CD1-CD2 3.71Å; F319-Y328 HydrophobicContact CD1-CD2 3.71Å; F319-Y328 HydrophobicContact CD1-CE2 4.21Å; F319-Y328 HydrophobicContact CE1-CD2 4.11Å; F319-Y328 HydrophobicContact CE1-CE2 4.14Å; F319-Y328 HydrophobicContact CG-CD2 4.39Å; F319-Y329 CarbonylContact C-O 3.58Å; F319-Y329 WeakPolarHBondContact CA-O 3.46Å; F319-F330 HydrophobicContact CD1-CB 4.2Å; F319-F330 HydrophobicContact CE1-CB 4.14Å
320	L	93.6	Very high	92.5	Very high	32 Å²	32	36.8 Å²	36.8	17%	0.168	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.7	163.6	-65	177.4	0	0	0	109.1	P249 R250 H251 Y328 Y329 I331	P249-L320 HydrophobicContact CB-CB 3.79Å; P249-L320 HydrophobicContact CB-CD2 3.82Å; P249-L320 HydrophobicContact CB-CG 4.23Å; P249-L320 HydrophobicContact CG-CD1 4.48Å; P249-L320 HydrophobicContact CG-CD2 3.94Å; R250-L320 CarbonylContact O-C 3.57Å; R250-L320 WeakPolarHBondContact O-CA 3.42Å; H251-L320 HydrophobicContact CB-CD2 4.48Å; L320-Y328 CarbonylContact O-C 3.32Å; L320-Y328 WeakPolarHBondContact O-CA 3.47Å; L320-Y329 PolarHBondContact N-O 2.75Å; L320-Y329 PolarHBondContact O-N 2.98Å; L320-I331 HydrophobicContact CB-CG2 4.43Å; L320-I331 HydrophobicContact CD1-CG2 3.69Å; L320-I331 HydrophobicContact CD2-CD1 4.39Å; L320-I331 HydrophobicContact CG-CD1 4.35Å; L320-I331 HydrophobicContact CG-CG2 3.62Å
321	Y	93.8	Very high	92.4	Very high	21 Å²	21	33.7 Å²	33.7	8%	0.082	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114	177.2	172.6	-129.6	0	0	0	110.6	P249 R250 L290 I294 Q323 R327	P249-Y321 CarbonylContact C-O 3.53Å; P249-Y321 WeakPolarHBondContact CA-O 3.47Å; R250-Y321 HydrophobicContact CB-CD1 4.3Å; R250-Y321 PolarHBondContact N-O 2.88Å; R250-Y321 PolarHBondContact O-N 2.94Å; L290-Y321 HydrophobicContact CD1-CD1 3.81Å; L290-Y321 HydrophobicContact CD1-CE1 3.71Å; I294-Y321 HydrophobicContact CD1-CE2 4.48Å; I294-Y321 HydrophobicContact CG1-CE2 4.2Å; I294-Y321 HydrophobicContact CG2-CD2 4.05Å; I294-Y321 HydrophobicContact CG2-CE2 3.84Å; Y321-Q323 HydrophobicContact CD1-CG 4Å; Y321-Q323 HydrophobicContact CE1-CG 3.67Å; Y321-Q323 PolarHBondContact O-N 2.61Å; Y321-R327 WeakPolarHBondContact CD2-O 3.45Å
322	D	89.9	Confident	92.1	Very high	18 Å²	18	36.7 Å²	36.7	10%	0.096	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.2	174	177.7	4.5	0	0	0	109.9	I246 T324 T325 G326 R327	I246-D322 HydrophobicContact CG2-CB 3.84Å; D322-T324 VanDerWaalsContact CG-OG1 3.32Å; D322-T324 PolarHBondContact O-N 2.75Å; D322-T324 WeakPolarHBondContact OD1-CB 3.12Å; D322-T324 PolarHBondContact OD1-N 2.95Å; D322-T324 PolarHBondContact OD1-OG1 2.88Å; D322-T324 PolarHBondContact OD2-OG1 3.23Å; D322-T325 WeakPolarHBondContact CB-OG1 3.42Å; D322-T325 PolarHBondContact O-N 2.82Å; D322-T325 WeakPolarHBondContact OD2-CB 3.4Å; D322-T325 WeakPolarHBondContact OD2-CG2 3.36Å; D322-T325 PolarHBondContact OD2-OG1 2.67Å; D322-G326 WeakPolarHBondContact O-CA 3.18Å; D322-G326 PolarHBondContact O-N 3.36Å; D322-R327 PolarHBondContact N-O 2.88Å; D322-R327 PolarHBondContact O-N 2.63Å
323	Q	82.4	Confident	92	Very high	72 Å²	72	34.7 Å²	34.7	34%	0.336	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.6	179.7	-65.2	-172	-54.5	0	0	112.8	R250 Y321	R250-Q323 VanDerWaalsContact CD-CD 3.47Å; R250-Q323 HydrophobicContact CG-CG 4.35Å; Y321-Q323 HydrophobicContact CD1-CG 4Å; Y321-Q323 HydrophobicContact CE1-CG 3.67Å; Y321-Q323 PolarHBondContact O-N 2.61Å
324	T	83.1	Confident	91.8	Very high	117 Å²	117	34.8 Å²	34.8	72%	0.718	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-37.4	-177.3	68.2	0	0	0	0	112.2	D322	D322-T324 VanDerWaalsContact CG-OG1 3.32Å; D322-T324 PolarHBondContact O-N 2.75Å; D322-T324 WeakPolarHBondContact OD1-CB 3.12Å; D322-T324 PolarHBondContact OD1-N 2.95Å; D322-T324 PolarHBondContact OD1-OG1 2.88Å; D322-T324 PolarHBondContact OD2-OG1 3.23Å
325	T	84.3	Confident	91.6	Very high	77 Å²	77	34.9 Å²	34.9	47%	0.472	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-13	179.4	60.5	0	0	0	0	113.1	D322 R327	D322-T325 WeakPolarHBondContact CB-OG1 3.42Å; D322-T325 PolarHBondContact O-N 2.82Å; D322-T325 WeakPolarHBondContact OD2-CB 3.4Å; D322-T325 WeakPolarHBondContact OD2-CG2 3.36Å; D322-T325 PolarHBondContact OD2-OG1 2.67Å; T325-R327 PolarHBondContact O-N 2.77Å
326	G	86.5	Confident	91.5	Very high	33 Å²	33	36.9 Å²	36.9	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	14.9	-173.8	0	0	0	0	0	113.4	I294 D322	I294-G326 WeakPolarHBondContact CD1-O 3.39Å; D322-G326 WeakPolarHBondContact O-CA 3.18Å; D322-G326 PolarHBondContact O-N 3.36Å
327	R	89.7	Confident	91.4	Very high	163 Å²	163	37 Å²	37	62%	0.615	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.6	-177.9	-62.8	-175.4	179.8	-170.6	0.1	110.9	Y321 D322 T325 Y329	Y321-R327 WeakPolarHBondContact CD2-O 3.45Å; D322-R327 PolarHBondContact N-O 2.88Å; D322-R327 PolarHBondContact O-N 2.63Å; T325-R327 PolarHBondContact O-N 2.77Å; R327-Y329 HydrophobicContact CB-CE2 4.02Å; R327-Y329 WeakPolarHBondContact CD-OH 3.44Å
328	Y	93.7	Very high	91.4	Very high	28 Å²	28	37.1 Å²	37.1	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.1	171.2	63.5	-90.2	0	0	0	110.9	I294 S297 L298 D301 F319 L320	I294-Y328 HydrophobicContact CG2-CD1 4.04Å; S297-Y328 WeakPolarHBondContact CB-OH 3.43Å; S297-Y328 PolarHBondContact O-OH 3.2Å; L298-Y328 HydrophobicContact CD2-CD1 4.2Å; L298-Y328 HydrophobicContact CD2-CD2 3.3Å; L298-Y328 HydrophobicContact CD2-CE2 3.77Å; L298-Y328 HydrophobicContact CD2-CG 3.56Å; L298-Y328 HydrophobicContact CG-CD1 4.13Å; L298-Y328 HydrophobicContact CG-CD2 4.04Å; L298-Y328 HydrophobicContact CG-CE1 4.31Å; L298-Y328 HydrophobicContact CG-CE2 4.22Å; L298-Y328 HydrophobicContact CG-CG 3.99Å; D301-Y328 VanDerWaalsContact OD2-CE2 3.28Å; D301-Y328 WeakPolarHBondContact OD2-CE2 3.36Å; D301-Y328 PolarHBondContact OD2-OH 2.67Å; F319-Y328 AromaticContact CD1-CD2 3.71Å; F319-Y328 HydrophobicContact CD1-CD2 3.71Å; F319-Y328 HydrophobicContact CD1-CE2 4.21Å; F319-Y328 HydrophobicContact CE1-CD2 4.11Å; F319-Y328 HydrophobicContact CE1-CE2 4.14Å; F319-Y328 HydrophobicContact CG-CD2 4.39Å; L320-Y328 CarbonylContact O-C 3.32Å; L320-Y328 WeakPolarHBondContact O-CA 3.47Å
329	Y	93.7	Very high	91.4	Very high	20 Å²	20	37.5 Å²	37.5	8%	0.078	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.9	-172.6	-56.2	-79.1	0	0	0	110.6	S172 V173 V174 I246 F319 L320 R327	S172-Y329 CarbonylContact O-C 3.33Å; S172-Y329 WeakPolarHBondContact O-CA 3.46Å; V173-Y329 WeakPolarHBondContact O-CD1 3.31Å; V174-Y329 VanDerWaalsContact CG2-CB 3.43Å; V174-Y329 HydrophobicContact CG2-CG 4Å; I246-Y329 HydrophobicContact CD1-CD2 3.95Å; I246-Y329 HydrophobicContact CD1-CE2 3.71Å; I246-Y329 HydrophobicContact CG1-CD2 4.21Å; I246-Y329 HydrophobicContact CG1-CE2 4.42Å; F319-Y329 CarbonylContact C-O 3.58Å; F319-Y329 WeakPolarHBondContact CA-O 3.46Å; L320-Y329 PolarHBondContact N-O 2.75Å; L320-Y329 PolarHBondContact O-N 2.98Å; R327-Y329 HydrophobicContact CB-CE2 4.02Å; R327-Y329 WeakPolarHBondContact CD-OH 3.44Å
330	F	94.1	Very high	91.4	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	138.1	170.3	168.4	-97.7	0	0	0	110.7	A162 A166 V171 S172 V173 L305 V317 F319 E332 V333	A162-F330 HydrophobicContact CB-CE1 4.49Å; A162-F330 HydrophobicContact CB-CZ 4.32Å; A166-F330 HydrophobicContact CB-CB 4.36Å; A166-F330 HydrophobicContact CB-CD1 3.46Å; A166-F330 VanDerWaalsContact CB-CD1 3.46Å; A166-F330 HydrophobicContact CB-CD2 4.5Å; A166-F330 HydrophobicContact CB-CE1 3.8Å; A166-F330 HydrophobicContact CB-CG 3.84Å; A166-F330 HydrophobicContact CB-CZ 4.44Å; V171-F330 HydrophobicContact CG1-CB 3.9Å; S172-F330 WeakPolarHBondContact O-CB 3.2Å; S172-F330 PolarHBondContact O-N 3.24Å; V173-F330 HydrophobicContact CG1-CB 4.33Å; V173-F330 HydrophobicContact CG1-CD1 4.05Å; L305-F330 HydrophobicContact CD2-CD2 3.74Å; L305-F330 HydrophobicContact CD2-CE2 3.48Å; L305-F330 VanDerWaalsContact CD2-CE2 3.48Å; L305-F330 HydrophobicContact CD2-CZ 4.09Å; V317-F330 HydrophobicContact CG1-CD2 3.76Å; V317-F330 HydrophobicContact CG1-CE2 3.92Å; F319-F330 HydrophobicContact CD1-CB 4.2Å; F319-F330 HydrophobicContact CE1-CB 4.14Å; F330-E332 VanDerWaalsContact CE2-O 3.28Å; F330-E332 WeakPolarHBondContact CE2-O 3.45Å; F330-V333 HydrophobicContact CE2-CG2 3.6Å; F330-V333 HydrophobicContact CZ-CG2 3.88Å
331	I	89.2	Confident	91.6	Very high	52 Å²	52	36.2 Å²	36.2	27%	0.267	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-48	175.7	52.7	163.6	0	0	0	113.5	V174 E318 L320	V174-I331 HydrophobicContact CG2-CG2 4.39Å; E318-I331 VanDerWaalsContact C-CG1 3.49Å; E318-I331 HydrophobicContact CB-CD1 3.71Å; E318-I331 HydrophobicContact CB-CG1 3.54Å; E318-I331 VanDerWaalsContact O-CG1 3.26Å; E318-I331 WeakPolarHBondContact O-CG1 3.44Å; E318-I331 PolarHBondContact O-N 3.14Å; L320-I331 HydrophobicContact CB-CG2 4.43Å; L320-I331 HydrophobicContact CD1-CG2 3.69Å; L320-I331 HydrophobicContact CD2-CD1 4.39Å; L320-I331 HydrophobicContact CG-CD1 4.35Å; L320-I331 HydrophobicContact CG-CG2 3.62Å
332	E	90	Very high	91.8	Very high	66 Å²	66	35.2 Å²	35.2	31%	0.308	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	163.6	-178.6	61.8	177.7	-150	0	0	112.6	E318 F330 N334	E318-E332 HydrophobicContact CB-CG 4.08Å; E318-E332 HydrophobicContact CG-CG 4.19Å; E318-E332 PolarHBondContact N-O 3.31Å; E318-E332 WeakPolarHBondContact OE2-CG 3.26Å; F330-E332 VanDerWaalsContact CE2-O 3.28Å; F330-E332 WeakPolarHBondContact CE2-O 3.45Å; E332-N334 PolarHBondContact OE1-ND2 3.22Å
333	V	92.1	Very high	92.3	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.4	166	178.1	0	0	0	0	108.2	M156 L305 Y311 T316 V317 F330 A335	M156-V333 HydrophobicContact CB-CB 4.12Å; M156-V333 HydrophobicContact CB-CG1 4.25Å; M156-V333 HydrophobicContact CG-CB 4.25Å; M156-V333 HydrophobicContact CG-CG1 4.15Å; M156-V333 HydrophobicContact SD-CB 3.95Å; M156-V333 HydrophobicContact SD-CG1 4.23Å; M156-V333 HydrophobicContact SD-CG2 3.83Å; L305-V333 HydrophobicContact CD2-CG2 3.9Å; Y311-V333 HydrophobicContact CE2-CG1 3.93Å; T316-V333 CarbonylContact O-C 3.53Å; T316-V333 WeakPolarHBondContact O-CA 3.1Å; V317-V333 HydrophobicContact CG2-CG2 4.32Å; F330-V333 HydrophobicContact CE2-CG2 3.6Å; F330-V333 HydrophobicContact CZ-CG2 3.88Å; V333-A335 PolarHBondContact O-N 2.89Å
334	N	92.6	Very high	93	Very high	7 Å²	7	31 Å²	31	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	102	168.9	-77.1	-78.7	0	0	0	108.2	E130 G315 T316 E318 E332 R336 Q338	E130-N334 PolarHBondContact OE1-OD1 2.64Å; G315-N334 WeakPolarHBondContact CA-O 3.49Å; T316-N334 PolarHBondContact N-O 2.73Å; T316-N334 PolarHBondContact O-N 2.79Å; E318-N334 PolarHBondContact OE1-ND2 2.95Å; E332-N334 PolarHBondContact OE1-ND2 3.22Å; N334-R336 HydrophobicContact CB-CG 4.5Å; N334-R336 PolarHBondContact O-N 2.88Å; N334-R336 PolarHBondContact OD1-NH2 3.44Å; N334-Q338 HydrophobicContact CB-CG 4.24Å; N334-Q338 PolarHBondContact ND2-NE2 3.11Å; N334-Q338 VanDerWaalsContact ND2-NE2 3.14Å
335	A	92.8	Very high	93.7	Very high	3 Å²	3	26 Å²	26	3%	0.025	13%	0.129	C	C	.	.			trans	-75.7	41.5	-173.7	0	0	0	0	0	113.4	P148 M156 Y311 V333	P148-A335 VanDerWaalsContact CD-O 3.28Å; P148-A335 WeakPolarHBondContact CD-O 3.33Å; P148-A335 HydrophobicContact CG-CB 4.24Å; M156-A335 HydrophobicContact CB-CB 4.21Å; Y311-A335 HydrophobicContact CE2-CB 4.47Å; Y311-A335 VanDerWaalsContact OH-C 3.32Å; Y311-A335 WeakPolarHBondContact OH-CA 3.26Å; V333-A335 PolarHBondContact O-N 2.89Å
336	R	94	Very high	94.4	Very high	42 Å²	42	24 Å²	24	16%	0.158	11%	0.114	C	C	.	.	S	Bend	trans	-163.6	175.3	-169.9	55.5	165.2	169	74.5	16.7	111.6	S129 E130 N334	S129-R336 WeakPolarHBondContact OG-CD 3.4Å; E130-R336 VanDerWaalsContact CD-NE 3.28Å; E130-R336 HydrophobicContact CG-CG 4.01Å; E130-R336 WeakPolarHBondContact OE1-CD 3.38Å; E130-R336 IonicContact OE1-CZ 2.69Å; E130-R336 IonicContact OE1-NE 3.52Å; E130-R336 PolarHBondContact OE1-NE 2.88Å; E130-R336 IonicContact OE1-NH2 3.64Å; E130-R336 PolarHBondContact OE1-NH2 2.68Å; N334-R336 HydrophobicContact CB-CG 4.5Å; N334-R336 PolarHBondContact O-N 2.88Å; N334-R336 PolarHBondContact OD1-NH2 3.44Å
337	L	96.1	Very high	94.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	10%	0.098	C	C	.	.			trans	-66.5	151.6	163.6	-161.9	69	0	0	0	110.3	I55 Y125 A314 H341 L352 V353	I55-L337 HydrophobicContact CD1-CD2 3.82Å; Y125-L337 VanDerWaalsContact CB-O 3.3Å; Y125-L337 WeakPolarHBondContact CB-O 3.34Å; A314-L337 HydrophobicContact CB-CD1 4.49Å; L337-H341 HydrophobicContact CD1-CB 3.63Å; L337-H341 HydrophobicContact CG-CB 4.04Å; L337-L352 HydrophobicContact CD1-CB 4.06Å; L337-L352 HydrophobicContact CD1-CD1 4.4Å; L337-V353 HydrophobicContact CD2-CG2 3.74Å
338	Q	96.3	Very high	95.3	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.019	7%	0.074	C	C	.	.			trans	-113.1	164.5	174.4	-78.6	180	-36.1	0	0	111.6	E253 T316 E318 N334 E340 H341	E253-Q338 PolarHBondContact OE1-OE1 3.42Å; E253-Q338 VanDerWaalsContact OE1-OE1 3.1Å; E253-Q338 PolarHBondContact OE2-NE2 3.02Å; E253-Q338 PolarHBondContact OE2-OE1 3.32Å; T316-Q338 VanDerWaalsContact CB-OE1 3.29Å; T316-Q338 VanDerWaalsContact CG2-OE1 3.24Å; T316-Q338 PolarHBondContact OG1-OE1 3.47Å; T316-Q338 VanDerWaalsContact OG1-OE1 3.05Å; E318-Q338 PolarHBondContact OE1-NE2 2.99Å; N334-Q338 HydrophobicContact CB-CG 4.24Å; N334-Q338 PolarHBondContact ND2-NE2 3.11Å; N334-Q338 VanDerWaalsContact ND2-NE2 3.14Å; Q338-E340 HydrophobicContact CB-CG 4.25Å; Q338-E340 PolarHBondContact O-N 2.57Å; Q338-H341 WeakPolarHBondContact O-CB 3.45Å; Q338-H341 PolarHBondContact O-N 3.33Å; Q338-H341 PolarHBondContact O-ND1 2.76Å
339	V	95.3	Very high	95.4	Very high	15 Å²	15	17.6 Å²	17.6	9%	0.091	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-36.9	-177.7	-174.9	0	0	0	0	110.7	Y125 Q383 K436	Y125-V339 HydrophobicContact CD1-CG2 4.08Å; Y125-V339 HydrophobicContact CD2-CG2 3.87Å; Y125-V339 HydrophobicContact CE1-CB 4.26Å; Y125-V339 HydrophobicContact CE1-CG2 3.83Å; Y125-V339 HydrophobicContact CE2-CG2 3.67Å; Y125-V339 HydrophobicContact CG-CG2 4.13Å; V339-Q383 PolarHBondContact O-OE1 2.93Å; V339-K436 HydrophobicContact CG1-CD 3.49Å; V339-K436 VanDerWaalsContact CG1-CD 3.49Å; V339-K436 PolarHBondContact O-NZ 2.99Å
340	E	97.1	Very high	95.5	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.028	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	9.1	-177.8	58.5	-89.7	-146.5	0	0	114.9	E253 R270 K280 E283 Q338 T342 V343 R385	E253-E340 WeakPolarHBondContact OE1-CG 3.35Å; R270-E340 VanDerWaalsContact CD-O 3.3Å; R270-E340 WeakPolarHBondContact CD-O 3.37Å; K280-E340 WeakPolarHBondContact CD-OE1 3.4Å; K280-E340 IonicContact NZ-OE1 2.77Å; K280-E340 PolarHBondContact NZ-OE1 3.44Å; E283-E340 HydrophobicContact CB-CB 3.84Å; E283-E340 HydrophobicContact CG-CB 3.65Å; E283-E340 HydrophobicContact CG-CG 4.12Å; Q338-E340 HydrophobicContact CB-CG 4.25Å; Q338-E340 PolarHBondContact O-N 2.57Å; E340-T342 PolarHBondContact O-N 3.04Å; E340-V343 WeakPolarHBondContact O-CG2 3.2Å; E340-V343 PolarHBondContact O-N 2.76Å; E340-R385 IonicContact OE2-NH2 3.57Å; E340-R385 PolarHBondContact OE2-NH2 3.44Å
341	H	98	Very high	95.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-54.4	-28.7	173.1	73.9	-85.7	0	0	0	112.8	L337 Q338 V343 T344 E345 L352	L337-H341 HydrophobicContact CD1-CB 3.63Å; L337-H341 HydrophobicContact CG-CB 4.04Å; Q338-H341 WeakPolarHBondContact O-CB 3.45Å; Q338-H341 PolarHBondContact O-N 3.33Å; Q338-H341 PolarHBondContact O-ND1 2.76Å; H341-V343 PolarHBondContact O-N 2.92Å; H341-T344 VanDerWaalsContact O-CB 3.3Å; H341-T344 WeakPolarHBondContact O-CB 3.5Å; H341-T344 PolarHBondContact O-N 2.83Å; H341-T344 VanDerWaalsContact O-N 3.09Å; H341-E345 IonicContact CD2-OE1 3.17Å; H341-E345 IonicContact CD2-OE2 2.65Å; H341-E345 IonicContact NE2-OE2 3.03Å; H341-E345 WeakPolarHBondContact O-CG 3.37Å; H341-E345 PolarHBondContact O-N 3.32Å; H341-L352 HydrophobicContact CB-CD1 3.72Å
342	T	98.1	Very high	96.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.8	-39.9	-176.1	57.9	0	0	0	0	113.4	E340 T344 E345 E346 Q383 I438	E340-T342 PolarHBondContact O-N 3.04Å; T342-T344 VanDerWaalsContact C-N 3.27Å; T342-T344 PolarHBondContact O-N 3.08Å; T342-E345 PolarHBondContact O-N 2.61Å; T342-E346 WeakPolarHBondContact O-CG 3.42Å; T342-E346 PolarHBondContact O-N 2.78Å; T342-Q383 PolarHBondContact OG1-OE1 3.3Å; T342-I438 HydrophobicContact CG2-CD1 4.25Å; T342-I438 WeakPolarHBondContact OG1-CG1 3.14Å
343	V	98.3	Very high	96.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.2	-31.9	177.8	-69.7	0	0	0	0	111.5	R270 A285 E340 H341 E346 I347 A381 Q383 I438	R270-V343 VanDerWaalsContact CD-CG2 3.46Å; R270-V343 HydrophobicContact CG-CG2 3.91Å; A285-V343 HydrophobicContact CB-CB 3.73Å; A285-V343 HydrophobicContact CB-CG2 3.69Å; E340-V343 WeakPolarHBondContact O-CG2 3.2Å; E340-V343 PolarHBondContact O-N 2.76Å; H341-V343 PolarHBondContact O-N 2.92Å; V343-E346 PolarHBondContact O-N 3.47Å; V343-I347 PolarHBondContact O-N 3.16Å; V343-A381 HydrophobicContact CB-CB 3.84Å; V343-A381 HydrophobicContact CG1-CB 3.93Å; V343-Q383 HydrophobicContact CG1-CB 3.62Å; V343-I438 HydrophobicContact CG1-CG2 3.95Å
344	T	98.4	Very high	96.7	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-69	-43	173.9	-54	0	0	0	0	111	Q255 L267 R270 H341 T342 E346 I347 T348 L352	Q255-T344 HydrophobicContact CB-CG2 3.98Å; Q255-T344 HydrophobicContact CG-CG2 4.02Å; L267-T344 HydrophobicContact CB-CG2 3.52Å; L267-T344 HydrophobicContact CD1-CG2 4.42Å; L267-T344 WeakPolarHBondContact O-CG2 3.49Å; R270-T344 WeakPolarHBondContact CD-OG1 3.41Å; R270-T344 PolarHBondContact NH1-OG1 3.37Å; H341-T344 VanDerWaalsContact O-CB 3.3Å; H341-T344 WeakPolarHBondContact O-CB 3.5Å; H341-T344 PolarHBondContact O-N 2.83Å; H341-T344 VanDerWaalsContact O-N 3.09Å; T342-T344 VanDerWaalsContact C-N 3.27Å; T342-T344 PolarHBondContact O-N 3.08Å; T344-E346 VanDerWaalsContact C-N 3.31Å; T344-E346 PolarHBondContact O-N 2.73Å; T344-I347 WeakPolarHBondContact O-CG1 3.37Å; T344-I347 PolarHBondContact O-N 3.36Å; T344-T348 HydrophobicContact CG2-CG2 4.3Å; T344-T348 WeakPolarHBondContact O-CB 3.18Å; T344-T348 WeakPolarHBondContact O-CG2 3.44Å; T344-T348 PolarHBondContact O-N 3.49Å; T344-T348 PolarHBondContact O-OG1 2.79Å; T344-L352 HydrophobicContact CG2-CD1 4.43Å
345	E	98.3	Very high	96.9	Very high	13 Å²	13	19.1 Å²	19.1	6%	0.061	11%	0.108	C	C	.	.	H	α-helix	trans	-60.1	-41.9	174.3	-56.2	-170.7	140.4	0	0	111.2	R58 H341 T342 I347 G349 V350 L352 R414	R58-E345 IonicContact CZ-OE1 3.3Å; R58-E345 IonicContact CZ-OE2 3.62Å; R58-E345 IonicContact NE-OE2 2.9Å; R58-E345 IonicContact NH2-OE1 3.55Å; R58-E345 PolarHBondContact NH2-OE1 2.9Å; R58-E345 IonicContact NH2-OE2 3.44Å; R58-E345 PolarHBondContact NH2-OE2 2.74Å; H341-E345 IonicContact CD2-OE1 3.17Å; H341-E345 IonicContact CD2-OE2 2.65Å; H341-E345 IonicContact NE2-OE2 3.03Å; H341-E345 WeakPolarHBondContact O-CG 3.37Å; H341-E345 PolarHBondContact O-N 3.32Å; T342-E345 PolarHBondContact O-N 2.61Å; E345-I347 PolarHBondContact O-N 3.27Å; E345-G349 WeakPolarHBondContact O-CA 3.17Å; E345-G349 PolarHBondContact O-N 3.28Å; E345-V350 WeakPolarHBondContact CG-O 3.42Å; E345-L352 HydrophobicContact CG-CB 4.3Å; E345-L352 HydrophobicContact CG-CD1 4.09Å; E345-L352 HydrophobicContact CG-CG 4.27Å; E345-L352 WeakPolarHBondContact OE1-CB 3.49Å; E345-L352 PolarHBondContact OE1-N 2.53Å; E345-R414 IonicContact OE2-CZ 2.65Å; E345-R414 VanDerWaalsContact OE2-CZ 3.25Å; E345-R414 IonicContact OE2-NH1 3.58Å; E345-R414 PolarHBondContact OE2-NH1 3.17Å; E345-R414 IonicContact OE2-NH2 2.98Å; E345-R414 PolarHBondContact OE2-NH2 3.44Å
346	E	97.8	Very high	97.2	Very high	34 Å²	34	19.1 Å²	19.1	16%	0.159	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-33.4	-178.6	-73.4	-55	135.9	0	0	113.9	T342 V343 T344 A381 R414 I438 R440	T342-E346 WeakPolarHBondContact O-CG 3.42Å; T342-E346 PolarHBondContact O-N 2.78Å; V343-E346 PolarHBondContact O-N 3.47Å; T344-E346 VanDerWaalsContact C-N 3.31Å; T344-E346 PolarHBondContact O-N 2.73Å; E346-A381 HydrophobicContact CB-CB 3.72Å; E346-A381 HydrophobicContact CG-CB 4.47Å; E346-R414 WeakPolarHBondContact OE1-CD 3.2Å; E346-R414 IonicContact OE1-NH1 3.23Å; E346-I438 HydrophobicContact CG-CG2 3.74Å; E346-R440 HydrophobicContact CB-CB 4.35Å; E346-R440 WeakPolarHBondContact OE2-CD 3.48Å; E346-R440 IonicContact OE2-CZ 2.84Å; E346-R440 IonicContact OE2-NE 2.74Å; E346-R440 IonicContact OE2-NH1 2.88Å
347	I	97.8	Very high	97.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-89.2	-28.7	178.8	67.6	170.1	0	0	0	113.2	A285 P286 V343 T344 E345 P377 H378 A381	A285-I347 HydrophobicContact CB-CD1 3.63Å; A285-I347 HydrophobicContact CB-CG1 4.32Å; A285-I347 HydrophobicContact CB-CG2 4.44Å; A285-I347 WeakPolarHBondContact O-CG2 3.47Å; P286-I347 HydrophobicContact CB-CD1 4.41Å; V343-I347 PolarHBondContact O-N 3.16Å; T344-I347 WeakPolarHBondContact O-CG1 3.37Å; T344-I347 PolarHBondContact O-N 3.36Å; E345-I347 PolarHBondContact O-N 3.27Å; I347-P377 HydrophobicContact CD1-CB 4.06Å; I347-H378 PolarHBondContact O-N 3.1Å; I347-A381 HydrophobicContact CG2-CB 3.82Å
348	T	97.3	Very high	97.4	Very high	18 Å²	18	19.4 Å²	19.4	11%	0.11	11%	0.109	C	C	.	.	H	α-helix	trans	-99.8	-19.5	-176.3	62	0	0	0	0	113.5	L267 Y268 T344 V350 I375	L267-T348 HydrophobicContact CB-CG2 4.2Å; L267-T348 HydrophobicContact CD2-CG2 4.44Å; Y268-T348 HydrophobicContact CD2-CG2 4.48Å; T344-T348 HydrophobicContact CG2-CG2 4.3Å; T344-T348 WeakPolarHBondContact O-CB 3.18Å; T344-T348 WeakPolarHBondContact O-CG2 3.44Å; T344-T348 PolarHBondContact O-N 3.49Å; T344-T348 PolarHBondContact O-OG1 2.79Å; T348-V350 PolarHBondContact O-N 2.94Å; T348-V350 PolarHBondContact OG1-N 3.31Å; T348-I375 HydrophobicContact CG2-CG2 4.21Å
349	G	95.9	Very high	97.4	Very high	71 Å²	71	19.4 Å²	19.4	73%	0.732	11%	0.109	S	C	*	.			trans	70.9	4.1	-171.3	0	0	0	0	0	114.4	E345	E345-G349 WeakPolarHBondContact O-CA 3.17Å; E345-G349 PolarHBondContact O-N 3.28Å
350	V	97	Very high	97.4	Very high	17 Å²	17	18.9 Å²	18.9	10%	0.103	11%	0.106	C	C	.	.			trans	-87.2	117.5	179.4	-179.5	0	0	0	0	109.6	L257 L267 E345 T348 L352 L370	L257-V350 HydrophobicContact CD1-CG1 4.41Å; L267-V350 HydrophobicContact CD1-CB 4.35Å; L267-V350 HydrophobicContact CD1-CG1 4.13Å; L267-V350 HydrophobicContact CD2-CB 4.15Å; L267-V350 HydrophobicContact CD2-CG1 4.32Å; L267-V350 HydrophobicContact CD2-CG2 3.84Å; E345-V350 WeakPolarHBondContact CG-O 3.42Å; T348-V350 PolarHBondContact O-N 2.94Å; T348-V350 PolarHBondContact OG1-N 3.31Å; V350-L352 PolarHBondContact O-N 3.03Å; V350-L370 HydrophobicContact CG1-CD1 4.12Å; V350-L370 HydrophobicContact CG1-CD2 4.07Å; V350-L370 HydrophobicContact CG2-CD2 3.73Å
351	D	97.2	Very high	97.3	Very high	46 Å²	46	19 Å²	19	25%	0.246	11%	0.107	C	C	.	.			trans	-73.4	106.2	170.1	-173.9	-42.6	0	0	0	109.3	R58 V353 R354 S355	R58-D351 IonicContact CZ-OD1 3.88Å; R58-D351 IonicContact CZ-OD2 3.73Å; R58-D351 IonicContact NH1-OD1 3.32Å; R58-D351 IonicContact NH1-OD2 2.78Å; R58-D351 IonicContact NH2-OD1 3.57Å; R58-D351 PolarHBondContact NH2-OD1 3.47Å; R58-D351 IonicContact NH2-OD2 2.76Å; R58-D351 PolarHBondContact NH2-OD2 3.33Å; D351-V353 PolarHBondContact OD1-N 3.47Å; D351-V353 VanDerWaalsContact OD1-N 3.11Å; D351-R354 HydrophobicContact CB-CB 3.98Å; D351-R354 WeakPolarHBondContact OD1-CB 3.07Å; D351-R354 PolarHBondContact OD1-N 2.83Å; D351-S355 WeakPolarHBondContact O-CB 3.16Å; D351-S355 PolarHBondContact O-N 3.06Å; D351-S355 PolarHBondContact O-OG 2.66Å
352	L	97.7	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-45.7	-175.8	-85.7	166.1	0	0	0	110.9	Q255 L257 L267 L337 H341 T344 E345 V350 R354 S355 Q356	Q255-L352 HydrophobicContact CG-CD1 4.08Å; Q255-L352 HydrophobicContact CG-CD2 4.06Å; L257-L352 HydrophobicContact CD1-CD2 4.08Å; L257-L352 HydrophobicContact CD2-CD2 3.84Å; L257-L352 HydrophobicContact CG-CD2 3.98Å; L267-L352 HydrophobicContact CD1-CD2 3.44Å; L267-L352 VanDerWaalsContact CD1-CD2 3.44Å; L267-L352 HydrophobicContact CD1-CG 4.06Å; L337-L352 HydrophobicContact CD1-CB 4.06Å; L337-L352 HydrophobicContact CD1-CD1 4.4Å; H341-L352 HydrophobicContact CB-CD1 3.72Å; T344-L352 HydrophobicContact CG2-CD1 4.43Å; E345-L352 HydrophobicContact CG-CB 4.3Å; E345-L352 HydrophobicContact CG-CD1 4.09Å; E345-L352 HydrophobicContact CG-CG 4.27Å; E345-L352 WeakPolarHBondContact OE1-CB 3.49Å; E345-L352 PolarHBondContact OE1-N 2.53Å; V350-L352 PolarHBondContact O-N 3.03Å; L352-R354 PolarHBondContact O-N 3.16Å; L352-S355 CarbonylContact O-C 3.38Å; L352-S355 WeakPolarHBondContact O-CA 3.33Å; L352-S355 WeakPolarHBondContact O-CB 3.36Å; L352-S355 PolarHBondContact O-N 2.91Å; L352-S355 VanDerWaalsContact O-N 3.13Å; L352-Q356 VanDerWaalsContact O-CG 3.28Å; L352-Q356 WeakPolarHBondContact O-CG 3.19Å; L352-Q356 PolarHBondContact O-N 2.88Å
353	V	97.7	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-42	-176.3	-178.9	0	0	0	0	111.7	R58 I59 A62 L337 D351 S355 Q356 I357	R58-V353 HydrophobicContact CG-CG2 4.07Å; R58-V353 VanDerWaalsContact CZ-CG2 3.49Å; I59-V353 HydrophobicContact CB-CG1 4.32Å; I59-V353 HydrophobicContact CG1-CG1 3.92Å; I59-V353 HydrophobicContact CG2-CG1 4.37Å; A62-V353 HydrophobicContact CB-CB 4.1Å; A62-V353 HydrophobicContact CB-CG1 3.65Å; L337-V353 HydrophobicContact CD2-CG2 3.74Å; D351-V353 PolarHBondContact OD1-N 3.47Å; D351-V353 VanDerWaalsContact OD1-N 3.11Å; V353-S355 VanDerWaalsContact C-N 3.29Å; V353-S355 PolarHBondContact O-N 2.77Å; V353-Q356 WeakPolarHBondContact O-CB 3.42Å; V353-Q356 PolarHBondContact O-N 2.99Å; V353-I357 HydrophobicContact CG1-CD1 4.25Å; V353-I357 WeakPolarHBondContact O-CG1 3.31Å; V353-I357 PolarHBondContact O-N 3.19Å
354	R	97.2	Very high	96.8	Very high	118 Å²	118	25.8 Å²	25.8	45%	0.445	14%	0.138	S	C	.	.	H	α-helix	trans	-61.6	-41.3	173.1	176.4	168.6	176	176.7	-1.2	111	M66 D351 L352 I357 R358	M66-R354 HydrophobicContact CE-CG 4.29Å; M66-R354 HydrophobicContact CG-CG 4.26Å; M66-R354 HydrophobicContact SD-CB 4.12Å; M66-R354 HydrophobicContact SD-CG 3.71Å; D351-R354 HydrophobicContact CB-CB 3.98Å; D351-R354 WeakPolarHBondContact OD1-CB 3.07Å; D351-R354 PolarHBondContact OD1-N 2.83Å; L352-R354 PolarHBondContact O-N 3.16Å; R354-I357 PolarHBondContact O-N 2.88Å; R354-R358 WeakPolarHBondContact O-CG 3.28Å; R354-R358 PolarHBondContact O-N 3.37Å
355	S	97.3	Very high	96.6	Very high	12 Å²	12	25.9 Å²	25.9	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-62.3	-45.1	175.7	-57.3	0	0	0	0	111.1	D351 L352 V353 I357 R358 L359	D351-S355 WeakPolarHBondContact O-CB 3.16Å; D351-S355 PolarHBondContact O-N 3.06Å; D351-S355 PolarHBondContact O-OG 2.66Å; L352-S355 CarbonylContact O-C 3.38Å; L352-S355 WeakPolarHBondContact O-CA 3.33Å; L352-S355 WeakPolarHBondContact O-CB 3.36Å; L352-S355 PolarHBondContact O-N 2.91Å; L352-S355 VanDerWaalsContact O-N 3.13Å; V353-S355 VanDerWaalsContact C-N 3.29Å; V353-S355 PolarHBondContact O-N 2.77Å; S355-I357 VanDerWaalsContact C-N 3.33Å; S355-I357 PolarHBondContact O-N 3.16Å; S355-R358 PolarHBondContact O-N 3.45Å; S355-L359 WeakPolarHBondContact O-CB 3.28Å; S355-L359 WeakPolarHBondContact O-CG 3.38Å; S355-L359 PolarHBondContact O-N 2.85Å
356	Q	97.9	Very high	96.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-55.1	-46.3	175.1	-67.9	-167.6	-94.5	0	0	112.2	H122 I146 N313 A314 L352 V353 A360	H122-Q356 PolarHBondContact NE2-OE1 2.79Å; I146-Q356 HydrophobicContact CG2-CB 3.88Å; N313-Q356 PolarHBondContact ND2-O 3.4Å; N313-Q356 WeakPolarHBondContact OD1-CB 3.34Å; N313-Q356 WeakPolarHBondContact OD1-CG 3.37Å; N313-Q356 PolarHBondContact OD1-NE2 3.08Å; A314-Q356 HydrophobicContact CB-CG 3.6Å; L352-Q356 VanDerWaalsContact O-CG 3.28Å; L352-Q356 WeakPolarHBondContact O-CG 3.19Å; L352-Q356 PolarHBondContact O-N 2.88Å; V353-Q356 WeakPolarHBondContact O-CB 3.42Å; V353-Q356 PolarHBondContact O-N 2.99Å; Q356-A360 WeakPolarHBondContact O-CB 3.11Å; Q356-A360 PolarHBondContact O-N 3.2Å
357	I	97.5	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-46.1	179.4	-63.5	163.9	0	0	0	110.4	I44 L47 A62 M66 I68 I146 V353 R354 S355 A360 E361	I44-I357 HydrophobicContact CD1-CG2 4.19Å; L47-I357 HydrophobicContact CD1-CD1 4.24Å; L47-I357 HydrophobicContact CD1-CG1 4.15Å; A62-I357 HydrophobicContact CB-CD1 4.26Å; M66-I357 HydrophobicContact CE-CB 3.85Å; M66-I357 HydrophobicContact CE-CG2 3.48Å; M66-I357 VanDerWaalsContact CE-CG2 3.48Å; M66-I357 HydrophobicContact SD-CB 4.09Å; M66-I357 HydrophobicContact SD-CD1 3.81Å; M66-I357 HydrophobicContact SD-CG2 4.09Å; I68-I357 HydrophobicContact CD1-CG2 3.66Å; I146-I357 HydrophobicContact CD1-CG1 4.15Å; V353-I357 HydrophobicContact CG1-CD1 4.25Å; V353-I357 WeakPolarHBondContact O-CG1 3.31Å; V353-I357 PolarHBondContact O-N 3.19Å; R354-I357 PolarHBondContact O-N 2.88Å; S355-I357 VanDerWaalsContact C-N 3.33Å; S355-I357 PolarHBondContact O-N 3.16Å; I357-A360 WeakPolarHBondContact O-CB 3.42Å; I357-A360 PolarHBondContact O-N 3.05Å; I357-E361 WeakPolarHBondContact O-CG 3.37Å; I357-E361 PolarHBondContact O-N 3.5Å
358	R	96.7	Very high	95.9	Very high	49 Å²	49	34 Å²	34	19%	0.185	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-39.4	180	-68.9	-60.8	-170.1	-157.8	-9.2	113.3	M66 R354 S355 A360 E361 G362 R363 L368	M66-R358 HydrophobicContact CE-CG 3.87Å; R354-R358 WeakPolarHBondContact O-CG 3.28Å; R354-R358 PolarHBondContact O-N 3.37Å; S355-R358 PolarHBondContact O-N 3.45Å; R358-A360 VanDerWaalsContact C-N 3.28Å; R358-A360 PolarHBondContact O-N 2.95Å; R358-E361 WeakPolarHBondContact CD-OE2 3.28Å; R358-E361 IonicContact CZ-OE2 3.66Å; R358-E361 IonicContact NE-OE2 3.83Å; R358-E361 IonicContact NH1-OE1 3.59Å; R358-E361 IonicContact NH1-OE2 2.72Å; R358-E361 PolarHBondContact NH1-OE2 3.49Å; R358-E361 WeakPolarHBondContact O-CB 3.37Å; R358-E361 PolarHBondContact O-N 3.47Å; R358-G362 PolarHBondContact O-N 3.12Å; R358-R363 HydrophobicContact CB-CB 4.32Å; R358-R363 HydrophobicContact CB-CG 4.23Å; R358-R363 VanDerWaalsContact O-CB 3.31Å; R358-R363 WeakPolarHBondContact O-CB 3.46Å; R358-R363 WeakPolarHBondContact O-CG 3.26Å; R358-R363 PolarHBondContact O-N 3.42Å; R358-L368 HydrophobicContact CB-CD1 4.11Å; R358-L368 HydrophobicContact CB-CD2 3.56Å; R358-L368 HydrophobicContact CB-CG 4.43Å; R358-L368 HydrophobicContact CG-CD2 3.8Å
359	L	96.4	Very high	95.7	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-39	173.8	-68.1	169.3	0	0	0	110.5	L257 D259 S355 E361 G362 R363 L365 L368	L257-L359 HydrophobicContact CD2-CD1 4.02Å; D259-L359 HydrophobicContact CB-CD2 3.67Å; S355-L359 WeakPolarHBondContact O-CB 3.28Å; S355-L359 WeakPolarHBondContact O-CG 3.38Å; S355-L359 PolarHBondContact O-N 2.85Å; L359-E361 PolarHBondContact O-N 2.86Å; L359-G362 WeakPolarHBondContact O-CA 3.28Å; L359-G362 PolarHBondContact O-N 3.27Å; L359-R363 WeakPolarHBondContact CD2-O 3.35Å; L359-L365 HydrophobicContact CD1-CD2 4.44Å; L359-L365 HydrophobicContact CD2-CD2 4.06Å; L359-L365 HydrophobicContact CD2-CG 4.46Å; L359-L368 HydrophobicContact CD2-CD1 4.05Å; L359-L368 HydrophobicContact CG-CD1 4.02Å
360	A	95.7	Very high	95.7	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-65.6	-35.5	174.8	0	0	0	0	0	113	I144 I146 K260 Q356 I357 R358 G362	I144-A360 HydrophobicContact CG2-CB 3.89Å; I146-A360 HydrophobicContact CB-CB 4.41Å; I146-A360 HydrophobicContact CG1-CB 3.84Å; I146-A360 HydrophobicContact CG2-CB 4.33Å; K260-A360 PolarHBondContact NZ-O 3.1Å; Q356-A360 WeakPolarHBondContact O-CB 3.11Å; Q356-A360 PolarHBondContact O-N 3.2Å; I357-A360 WeakPolarHBondContact O-CB 3.42Å; I357-A360 PolarHBondContact O-N 3.05Å; R358-A360 VanDerWaalsContact C-N 3.28Å; R358-A360 PolarHBondContact O-N 2.95Å; A360-G362 PolarHBondContact O-N 3.38Å
361	E	95.5	Very high	95.5	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.042	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.7	169.8	-66.5	-176.9	142.6	0	0	113.3	G41 R42 K43 I44 I357 R358 L359	G41-E361 CarbonylContact C-O 3.48Å; G41-E361 WeakPolarHBondContact CA-O 3.46Å; R42-E361 PolarHBondContact N-O 3.02Å; K43-E361 WeakPolarHBondContact CA-OE1 3.49Å; I44-E361 HydrophobicContact CB-CG 4.41Å; I44-E361 HydrophobicContact CD1-CG 3.79Å; I44-E361 HydrophobicContact CG1-CG 3.9Å; I44-E361 PolarHBondContact N-OE1 3.45Å; I357-E361 WeakPolarHBondContact O-CG 3.37Å; I357-E361 PolarHBondContact O-N 3.5Å; R358-E361 WeakPolarHBondContact CD-OE2 3.28Å; R358-E361 IonicContact CZ-OE2 3.66Å; R358-E361 IonicContact NE-OE2 3.83Å; R358-E361 IonicContact NH1-OE1 3.59Å; R358-E361 IonicContact NH1-OE2 2.72Å; R358-E361 PolarHBondContact NH1-OE2 3.49Å; R358-E361 WeakPolarHBondContact O-CB 3.37Å; R358-E361 PolarHBondContact O-N 3.47Å; L359-E361 PolarHBondContact O-N 2.86Å
362	G	93.2	Very high	95.5	Very high	14 Å²	14	37.3 Å²	37.3	14%	0.144	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	18.8	179.8	0	0	0	0	0	114.6	Y261 R358 L359 A360	Y261-G362 PolarHBondContact OH-O 2.98Å; R358-G362 PolarHBondContact O-N 3.12Å; L359-G362 WeakPolarHBondContact O-CA 3.28Å; L359-G362 PolarHBondContact O-N 3.27Å; A360-G362 PolarHBondContact O-N 3.38Å
363	R	94.5	Very high	95.2	Very high	119 Å²	119	43.2 Å²	43.2	45%	0.449	22%	0.222	S	C	.	.			trans	-71.7	146.9	169.9	-62.6	-66.8	-178.2	177.1	-1.5	110.4	R358 L359 D367 L368	R358-R363 HydrophobicContact CB-CB 4.32Å; R358-R363 HydrophobicContact CB-CG 4.23Å; R358-R363 VanDerWaalsContact O-CB 3.31Å; R358-R363 WeakPolarHBondContact O-CB 3.46Å; R358-R363 WeakPolarHBondContact O-CG 3.26Å; R358-R363 PolarHBondContact O-N 3.42Å; L359-R363 WeakPolarHBondContact CD2-O 3.35Å; R363-D367 WeakPolarHBondContact CA-OD2 3.32Å; R363-D367 HydrophobicContact CB-CB 4.06Å; R363-L368 HydrophobicContact CB-CD2 4.32Å
364	S	95	Very high	95	Very high	9 Å²	9	49 Å²	49	6%	0.063	25%	0.247	C	C	.	.			trans	-80.7	163.7	170.3	66.7	0	0	0	0	111.4	D259 Y261 S366 D367 L368	D259-S364 WeakPolarHBondContact OD2-CA 3.41Å; D259-S364 WeakPolarHBondContact OD2-CB 3.4Å; Y261-S364 VanDerWaalsContact CD2-CB 3.46Å; S364-S366 PolarHBondContact O-N 3.29Å; S364-S366 PolarHBondContact OG-N 2.99Å; S364-S366 PolarHBondContact OG-OG 2.89Å; S364-D367 PolarHBondContact N-OD2 3.26Å; S364-D367 WeakPolarHBondContact O-CB 3.28Å; S364-D367 PolarHBondContact O-N 2.89Å; S364-D367 VanDerWaalsContact O-N 3.14Å; S364-D367 PolarHBondContact OG-N 3.36Å; S364-D367 PolarHBondContact OG-OD2 3.22Å; S364-D367 VanDerWaalsContact OG-OD2 3.12Å; S364-L368 PolarHBondContact O-N 3.35Å
365	L	94.9	Very high	94.9	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.6	169.9	-70.3	174.8	0	0	0	111.4	L257 D259 N263 V265 L359 D367 L368 N369 L370	L257-L365 HydrophobicContact CB-CD2 4.02Å; D259-L365 HydrophobicContact CB-CG 4.08Å; D259-L365 PolarHBondContact OD2-N 3.05Å; N263-L365 HydrophobicContact CB-CD1 3.85Å; N263-L365 WeakPolarHBondContact O-CD1 3.38Å; V265-L365 HydrophobicContact CB-CD1 4.38Å; V265-L365 HydrophobicContact CG1-CD1 3.97Å; V265-L365 HydrophobicContact CG2-CD1 3.89Å; V265-L365 HydrophobicContact CG2-CD2 4.16Å; L359-L365 HydrophobicContact CD1-CD2 4.44Å; L359-L365 HydrophobicContact CD2-CD2 4.06Å; L359-L365 HydrophobicContact CD2-CG 4.46Å; L365-D367 PolarHBondContact O-N 3.1Å; L365-L368 CarbonylContact O-C 3.47Å; L365-L368 PolarHBondContact O-N 2.89Å; L365-L368 VanDerWaalsContact O-N 3.11Å; L365-N369 PolarHBondContact O-N 3.49Å; L365-L370 CarbonylContact C-O 3.46Å; L365-L370 HydrophobicContact CB-CB 4.41Å; L365-L370 HydrophobicContact CD2-CB 4.38Å; L365-L370 HydrophobicContact CD2-CD1 4.27Å; L365-L370 PolarHBondContact O-N 3.36Å
366	S	93.5	Very high	94.7	Very high	86 Å²	86	48.7 Å²	48.7	60%	0.601	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-64.3	-36.4	175.7	72.4	0	0	0	0	113.1	S364 L368 N369	S364-S366 PolarHBondContact O-N 3.29Å; S364-S366 PolarHBondContact OG-N 2.99Å; S364-S366 PolarHBondContact OG-OG 2.89Å; S366-L368 PolarHBondContact O-N 2.92Å; S366-N369 PolarHBondContact O-N 3.34Å
367	D	92.8	Very high	94.5	Very high	89 Å²	89	50.8 Å²	50.8	48%	0.476	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.7	-27	174.2	-65.8	-36.3	0	0	0	112.3	R363 S364 L365 N369	R363-D367 WeakPolarHBondContact CA-OD2 3.32Å; R363-D367 HydrophobicContact CB-CB 4.06Å; S364-D367 PolarHBondContact N-OD2 3.26Å; S364-D367 WeakPolarHBondContact O-CB 3.28Å; S364-D367 PolarHBondContact O-N 2.89Å; S364-D367 VanDerWaalsContact O-N 3.14Å; S364-D367 PolarHBondContact OG-N 3.36Å; S364-D367 PolarHBondContact OG-OD2 3.22Å; S364-D367 VanDerWaalsContact OG-OD2 3.12Å; L365-D367 PolarHBondContact O-N 3.1Å; D367-N369 VanDerWaalsContact C-N 3.27Å
368	L	93.2	Very high	94.4	Very high	44 Å²	44	56.9 Å²	56.9	23%	0.23	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-87.5	3.2	176.1	-55.7	-177.8	0	0	0	112.7	R358 L359 R363 S364 L365 S366 L370	R358-L368 HydrophobicContact CB-CD1 4.11Å; R358-L368 HydrophobicContact CB-CD2 3.56Å; R358-L368 HydrophobicContact CB-CG 4.43Å; R358-L368 HydrophobicContact CG-CD2 3.8Å; L359-L368 HydrophobicContact CD2-CD1 4.05Å; L359-L368 HydrophobicContact CG-CD1 4.02Å; R363-L368 HydrophobicContact CB-CD2 4.32Å; S364-L368 PolarHBondContact O-N 3.35Å; L365-L368 CarbonylContact O-C 3.47Å; L365-L368 PolarHBondContact O-N 2.89Å; L365-L368 VanDerWaalsContact O-N 3.11Å; S366-L368 PolarHBondContact O-N 2.92Å; L368-L370 HydrophobicContact CB-CD1 3.98Å; L368-L370 HydrophobicContact CB-CG 3.94Å; L368-L370 HydrophobicContact CD1-CD1 4.34Å; L368-L370 PolarHBondContact O-N 3.06Å
369	N	93.7	Very high	94.4	Very high	105 Å²	105	55.7 Å²	55.7	56%	0.561	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	33	-172.4	-169	44.1	0	0	0	112.5	L365 S366 D367 K374	L365-N369 PolarHBondContact O-N 3.49Å; S366-N369 PolarHBondContact O-N 3.34Å; D367-N369 VanDerWaalsContact C-N 3.27Å; N369-K374 PolarHBondContact OD1-NZ 3.34Å
370	L	94.4	Very high	94.5	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.099	30%	0.304	C	S	.	.			trans	-103.4	111.4	176.3	-62.7	178	0	0	0	109.1	L257 V350 L365 L368	L257-L370 HydrophobicContact CD1-CD1 3.89Å; V350-L370 HydrophobicContact CG1-CD1 4.12Å; V350-L370 HydrophobicContact CG1-CD2 4.07Å; V350-L370 HydrophobicContact CG2-CD2 3.73Å; L365-L370 CarbonylContact C-O 3.46Å; L365-L370 HydrophobicContact CB-CB 4.41Å; L365-L370 HydrophobicContact CD2-CB 4.38Å; L365-L370 HydrophobicContact CD2-CD1 4.27Å; L365-L370 PolarHBondContact O-N 3.36Å; L368-L370 HydrophobicContact CB-CD1 3.98Å; L368-L370 HydrophobicContact CB-CG 3.94Å; L368-L370 HydrophobicContact CD1-CD1 4.34Å; L368-L370 PolarHBondContact O-N 3.06Å
371	S	94.4	Very high	94.6	Very high	34 Å²	34	57.6 Å²	57.6	24%	0.238	30%	0.302	C	S	.	.			trans	-137.5	151.1	170.4	62.6	0	0	0	0	108.6	D373 K374 I375	S371-D373 WeakPolarHBondContact CB-OD1 3.37Å; S371-D373 PolarHBondContact O-N 3.47Å; S371-D373 VanDerWaalsContact O-N 3.15Å; S371-D373 PolarHBondContact OG-OD1 2.75Å; S371-K374 PolarHBondContact O-N 2.92Å; S371-K374 WeakPolarHBondContact OG-CD 3.49Å; S371-K374 WeakPolarHBondContact OG-CG 3.39Å; S371-I375 WeakPolarHBondContact O-CG1 3.21Å; S371-I375 PolarHBondContact O-N 3.22Å
372	Q	95.6	Very high	94.7	Very high	63 Å²	63	57.2 Å²	57.2	29%	0.294	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.4	-31.1	-169.2	-168.3	58.5	73.2	0	0	113.3	V265 H266 K374	V265-Q372 HydrophobicContact CG1-CB 4.47Å; H266-Q372 VanDerWaalsContact CD2-CD 3.48Å; H266-Q372 PolarHBondContact CD2-OE1 3.38Å; H266-Q372 PolarHBondContact CE1-NE2 2.92Å; H266-Q372 PolarHBondContact ND1-NE2 2.8Å; H266-Q372 VanDerWaalsContact NE2-CD 3.28Å; H266-Q372 PolarHBondContact NE2-NE2 2.83Å; H266-Q372 PolarHBondContact NE2-OE1 2.89Å; H266-Q372 PolarHBondContact O-NE2 3.22Å; Q372-K374 VanDerWaalsContact C-N 3.31Å; Q372-K374 PolarHBondContact O-N 3Å
373	D	93.2	Very high	95	Very high	123 Å²	123	56.5 Å²	56.5	66%	0.658	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-71.6	-17.8	177.2	61.2	-58	0	0	0	114.2	S371	S371-D373 WeakPolarHBondContact CB-OD1 3.37Å; S371-D373 PolarHBondContact O-N 3.47Å; S371-D373 VanDerWaalsContact O-N 3.15Å; S371-D373 PolarHBondContact OG-OD1 2.75Å
374	K	92	Very high	95.1	Very high	121 Å²	121	50.9 Å²	50.9	53%	0.526	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-100	-7.3	179.3	-67.5	178	-177.9	165.4	0	113.7	N369 S371 Q372	N369-K374 PolarHBondContact OD1-NZ 3.34Å; S371-K374 PolarHBondContact O-N 2.92Å; S371-K374 WeakPolarHBondContact OG-CD 3.49Å; S371-K374 WeakPolarHBondContact OG-CG 3.39Å; Q372-K374 VanDerWaalsContact C-N 3.31Å; Q372-K374 PolarHBondContact O-N 3Å
375	I	94.8	Very high	95.1	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.041	28%	0.276	C	S	.	.			trans	-96.6	108.4	-177.8	-61.4	160.9	0	0	0	107.5	V265 L267 Y268 T348 S371	V265-I375 HydrophobicContact CB-CD1 3.93Å; V265-I375 HydrophobicContact CG1-CD1 4.37Å; V265-I375 HydrophobicContact CG2-CD1 3.94Å; L267-I375 HydrophobicContact CD2-CD1 3.8Å; L267-I375 HydrophobicContact CD2-CG1 4.13Å; L267-I375 HydrophobicContact CD2-CG2 3.67Å; Y268-I375 HydrophobicContact CD2-CG2 4.18Å; Y268-I375 HydrophobicContact CE2-CG2 3.98Å; Y268-I375 VanDerWaalsContact CE2-O 3.28Å; Y268-I375 WeakPolarHBondContact CE2-O 3.41Å; Y268-I375 PolarHBondContact OH-O 3.32Å; T348-I375 HydrophobicContact CG2-CG2 4.21Å; S371-I375 WeakPolarHBondContact O-CG1 3.21Å; S371-I375 PolarHBondContact O-N 3.22Å
376	E	93.3	Very high	95.1	Very high	116 Å²	116	52.2 Å²	52.2	54%	0.542	28%	0.275	S	S	.	.			trans	-124.9	145.3	176.4	-64.5	-172.4	167.7	0	0	110.4
377	P	94.6	Very high	95.1	Very high	46 Å²	46	48.6 Å²	48.6	30%	0.299	25%	0.249	S	C	.	.			trans	-86.8	127.2	177	33.6	-25.2	0	0	0	109.6	Y268 I347	Y268-P377 HydrophobicContact CD1-CG 4.05Å; Y268-P377 HydrophobicContact CD2-CB 4.26Å; Y268-P377 HydrophobicContact CD2-CG 4.29Å; Y268-P377 HydrophobicContact CE1-CG 3.83Å; Y268-P377 HydrophobicContact CE2-CB 4.44Å; Y268-P377 HydrophobicContact CE2-CG 4.09Å; Y268-P377 HydrophobicContact CG-CB 4.32Å; Y268-P377 HydrophobicContact CG-CG 4.29Å; Y268-P377 VanDerWaalsContact CZ-CD 3.43Å; I347-P377 HydrophobicContact CD1-CB 4.06Å
378	H	95.4	Very high	95.1	Very high	129 Å²	129	44.4 Å²	44.4	60%	0.597	23%	0.227	S	C	*	.			trans	-105.7	108.4	176.3	-62.1	-60.5	0	0	0	111	I347	I347-H378 PolarHBondContact O-N 3.1Å
379	G	96.3	Very high	95	Very high	23 Å²	23	42.8 Å²	42.8	24%	0.237	22%	0.218	C	C	.	.	S	Bend	trans	70.1	-147.6	177.5	0	0	0	0	0	113.4	P286 A441	P286-G379 VanDerWaalsContact CD-O 3.25Å; P286-G379 WeakPolarHBondContact CD-O 3.17Å; G379-A441 CarbonylContact C-O 3.56Å; G379-A441 VanDerWaalsContact CA-O 3.27Å; G379-A441 WeakPolarHBondContact CA-O 3.31Å
380	F	98.1	Very high	94.8	Very high	50 Å²	50	38.9 Å²	38.9	22%	0.219	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	145	178.9	-69.4	-96.4	0	0	0	110.6	A285 P286 P288 R440 A441 F444 A447	A285-F380 CarbonylContact O-C 3.5Å; A285-F380 WeakPolarHBondContact O-CA 3.46Å; P286-F380 HydrophobicContact CG-CD1 4.23Å; P286-F380 HydrophobicContact CG-CE1 3.99Å; P288-F380 HydrophobicContact CB-CE1 4.35Å; F380-R440 VanDerWaalsContact O-CA 3.27Å; F380-R440 WeakPolarHBondContact O-CA 3.08Å; F380-A441 PolarHBondContact N-O 3.3Å; F380-A441 PolarHBondContact O-N 3.03Å; F380-F444 HydrophobicContact CB-CB 4.29Å; F380-F444 HydrophobicContact CB-CD2 4.49Å; F380-F444 HydrophobicContact CD1-CB 3.89Å; F380-F444 HydrophobicContact CD1-CD2 4.22Å; F380-F444 HydrophobicContact CD1-CG 4.4Å; F380-F444 HydrophobicContact CD2-CB 4.01Å; F380-F444 HydrophobicContact CE1-CB 4.19Å; F380-F444 HydrophobicContact CE2-CB 4.3Å; F380-F444 HydrophobicContact CG-CB 3.79Å; F380-F444 HydrophobicContact CZ-CB 4.38Å; F380-A447 HydrophobicContact CB-CB 4.38Å
381	A	98.5	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.3	171.5	0	0	0	0	0	110.7	I284 A285 V343 E346 I347 I438 A439 R440	I284-A381 CarbonylContact C-O 3.57Å; I284-A381 WeakPolarHBondContact CA-O 3.49Å; A285-A381 PolarHBondContact N-O 3.1Å; A285-A381 PolarHBondContact O-N 3.15Å; V343-A381 HydrophobicContact CB-CB 3.84Å; V343-A381 HydrophobicContact CG1-CB 3.93Å; E346-A381 HydrophobicContact CB-CB 3.72Å; E346-A381 HydrophobicContact CG-CB 4.47Å; I347-A381 HydrophobicContact CG2-CB 3.82Å; A381-I438 HydrophobicContact CB-CG2 4.32Å; A381-A439 CarbonylContact C-O 3.55Å; A381-A439 VanDerWaalsContact CA-O 3.25Å; A381-A439 WeakPolarHBondContact CA-O 3.47Å; A381-R440 HydrophobicContact CB-CB 4.4Å
382	I	98.5	Very high	94	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128	176.9	-56.3	173.1	0	0	0	107.6	V282 E283 I284 I438 A439 F444 A447 A448 M451 I474 F479	V282-I382 HydrophobicContact CG1-CG2 3.7Å; E283-I382 CarbonylContact O-C 3.54Å; E283-I382 WeakPolarHBondContact O-CA 3.42Å; I284-I382 HydrophobicContact CG1-CG1 4.47Å; I284-I382 HydrophobicContact CG2-CG1 4.33Å; I382-I438 CarbonylContact O-C 3.56Å; I382-I438 VanDerWaalsContact O-CA 3.26Å; I382-I438 WeakPolarHBondContact O-CA 3.2Å; I382-A439 PolarHBondContact N-O 3.33Å; I382-A439 PolarHBondContact O-N 3.21Å; I382-F444 HydrophobicContact CD1-CD2 3.97Å; I382-F444 HydrophobicContact CD1-CE2 3.59Å; I382-F444 HydrophobicContact CD1-CZ 4.48Å; I382-F444 HydrophobicContact CG1-CD2 4.28Å; I382-F444 HydrophobicContact CG1-CE2 3.96Å; I382-A447 HydrophobicContact CD1-CB 3.93Å; I382-A447 HydrophobicContact CG1-CB 4.16Å; I382-A448 HydrophobicContact CD1-CB 3.97Å; I382-M451 HydrophobicContact CB-CE 4.3Å; I382-M451 HydrophobicContact CG2-CE 4.16Å; I382-M451 WeakPolarHBondContact O-CE 3.27Å; I382-I474 HydrophobicContact CG2-CD1 4.19Å; I382-F479 HydrophobicContact CD1-CE1 4.24Å; I382-F479 HydrophobicContact CD1-CZ 4.19Å; I382-F479 HydrophobicContact CG2-CZ 4.24Å
383	Q	98.4	Very high	93.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.9	169.6	179.5	175.7	-97.7	0	0	110.3	V282 E283 V339 T342 V343 I437 I438	V282-Q383 WeakPolarHBondContact CA-O 3.28Å; V282-Q383 WeakPolarHBondContact CG1-O 3.44Å; E283-Q383 PolarHBondContact N-O 2.61Å; E283-Q383 VanDerWaalsContact N-O 3.08Å; E283-Q383 PolarHBondContact O-N 3.5Å; E283-Q383 WeakPolarHBondContact OE2-CG 3.31Å; E283-Q383 PolarHBondContact OE2-NE2 3.23Å; V339-Q383 PolarHBondContact O-OE1 2.93Å; T342-Q383 PolarHBondContact OG1-OE1 3.3Å; V343-Q383 HydrophobicContact CG1-CB 3.62Å; Q383-I437 CarbonylContact C-O 3.29Å; Q383-I437 VanDerWaalsContact CA-O 3.29Å; Q383-I437 WeakPolarHBondContact CA-O 3.34Å; Q383-I438 HydrophobicContact CB-CG1 4.03Å; Q383-I438 HydrophobicContact CG-CD1 4.4Å; Q383-I438 HydrophobicContact CG-CG1 4.02Å
384	C	97.1	Very high	93	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.2	164.5	-67	0	0	0	0	109.8	I437 M451 L470	C384-I437 HydrophobicContact CB-CG2 3.77Å; C384-I437 PolarHBondContact N-O 2.92Å; C384-I437 WeakPolarHBondContact O-CG2 3.42Å; C384-I437 PolarHBondContact O-N 3.31Å; C384-M451 HydrophobicContact CB-CE 4.12Å; C384-M451 HydrophobicContact CB-SD 4.01Å; C384-L470 HydrophobicContact CB-CD1 4.1Å; C384-L470 HydrophobicContact CB-CD2 4.32Å
385	R	94.7	Very high	92.7	Very high	41 Å²	41	39.6 Å²	39.6	16%	0.155	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.7	174.8	-59.6	176.9	-158.4	-159	-1.3	109.5	E283 E340 T387 L433 N466	E283-R385 IonicContact OE1-CZ 3.19Å; E283-R385 IonicContact OE1-NE 3.12Å; E283-R385 PolarHBondContact OE1-NE 2.82Å; E283-R385 IonicContact OE1-NH2 3.12Å; E283-R385 PolarHBondContact OE1-NH2 3.35Å; E283-R385 IonicContact OE2-NE 2.95Å; E283-R385 IonicContact OE2-NH2 3.75Å; E340-R385 IonicContact OE2-NH2 3.57Å; E340-R385 PolarHBondContact OE2-NH2 3.44Å; R385-T387 HydrophobicContact CB-CG2 4.44Å; R385-T387 PolarHBondContact O-N 3.29Å; R385-L433 HydrophobicContact CB-CD1 3.94Å; R385-L433 HydrophobicContact CG-CD1 4.41Å; R385-N466 PolarHBondContact O-ND2 3.15Å
386	I	94.7	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.1	173.2	-59.2	-179.6	0	0	0	107.9	L434 V435 I437 L455 F458 I460 T465 N466 I467 L470	I386-L434 HydrophobicContact CG2-CB 4.48Å; I386-L434 HydrophobicContact CG2-CD1 4.41Å; I386-L434 WeakPolarHBondContact O-CB 3.19Å; I386-L434 PolarHBondContact O-N 3.25Å; I386-V435 HydrophobicContact CB-CG1 3.7Å; I386-V435 HydrophobicContact CD1-CG1 3.81Å; I386-V435 HydrophobicContact CG1-CG1 4.12Å; I386-V435 HydrophobicContact CG2-CG1 4.26Å; I386-V435 PolarHBondContact N-O 2.93Å; I386-V435 PolarHBondContact O-N 3.26Å; I386-I437 HydrophobicContact CD1-CG2 4.39Å; I386-I437 HydrophobicContact CG1-CG2 4.42Å; I386-L455 HydrophobicContact CD1-CD2 3.94Å; I386-L455 HydrophobicContact CG1-CD2 4.14Å; I386-F458 HydrophobicContact CD1-CD1 4.07Å; I386-F458 HydrophobicContact CD1-CD2 3.85Å; I386-F458 HydrophobicContact CD1-CE1 4.14Å; I386-F458 HydrophobicContact CD1-CE2 3.99Å; I386-F458 HydrophobicContact CD1-CG 3.92Å; I386-F458 HydrophobicContact CD1-CZ 4.11Å; I386-I460 HydrophobicContact CG2-CD1 3.95Å; I386-T465 HydrophobicContact CG2-CG2 4.47Å; I386-N466 WeakPolarHBondContact CA-OD1 3.4Å; I386-I467 HydrophobicContact CD1-CD1 4.07Å; I386-I467 HydrophobicContact CD1-CG1 4.04Å; I386-I467 HydrophobicContact CG1-CG1 4.17Å; I386-I467 HydrophobicContact CG2-CD1 3.99Å; I386-I467 HydrophobicContact CG2-CG1 3.79Å; I386-L470 HydrophobicContact CG1-CD1 4.26Å
387	T	94	Very high	91.9	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.055	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	168.6	-177.3	69.7	0	0	0	0	111.5	R385 E389 S432 T465 N466	R385-T387 HydrophobicContact CB-CG2 4.44Å; R385-T387 PolarHBondContact O-N 3.29Å; T387-E389 PolarHBondContact O-N 2.87Å; T387-E389 WeakPolarHBondContact OG1-CB 3.39Å; T387-E389 WeakPolarHBondContact OG1-CG 3.45Å; T387-E389 PolarHBondContact OG1-N 3.15Å; T387-E389 PolarHBondContact OG1-OE2 2.97Å; T387-S432 CarbonylContact C-O 3.56Å; T387-S432 WeakPolarHBondContact CA-O 3.47Å; T387-S432 WeakPolarHBondContact CB-O 3.3Å; T387-T465 WeakPolarHBondContact O-CA 3.37Å; T387-T465 WeakPolarHBondContact O-CB 3.44Å; T387-N466 PolarHBondContact N-OD1 2.96Å; T387-N466 PolarHBondContact O-N 3.13Å; T387-N466 PolarHBondContact OG1-ND2 3.4Å
388	T	93.1	Very high	91.6	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.216	C	C	.	.	S	Bend	trans	-81.3	5.7	169.1	61.5	0	0	0	0	114.2	D390 D398 I426 S432 L434 V463 K464	T388-D390 PolarHBondContact O-N 3.06Å; T388-D398 VanDerWaalsContact CB-O 3.22Å; T388-D398 WeakPolarHBondContact CB-O 3.41Å; T388-D398 VanDerWaalsContact O-CB 3.32Å; T388-D398 WeakPolarHBondContact O-CB 3.41Å; T388-D398 PolarHBondContact O-N 3.32Å; T388-D398 PolarHBondContact OG1-O 3.2Å; T388-I426 HydrophobicContact CG2-CG1 4.37Å; T388-I426 HydrophobicContact CG2-CG2 3.93Å; T388-S432 PolarHBondContact N-O 2.93Å; T388-S432 WeakPolarHBondContact OG1-CB 3.39Å; T388-L434 HydrophobicContact CG2-CD1 3.9Å; T388-L434 HydrophobicContact CG2-CD2 3.66Å; T388-L434 HydrophobicContact CG2-CG 3.82Å; T388-V463 HydrophobicContact CG2-CB 4.29Å; T388-V463 HydrophobicContact CG2-CG2 3.96Å; T388-K464 VanDerWaalsContact CA-O 3.29Å; T388-K464 WeakPolarHBondContact CA-O 3.28Å
389	E	90.9	Very high	91.2	Very high	11 Å²	11	37.4 Å²	37.4	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.1	-180	-63.9	169.4	121.5	0	0	110.5	R276 T387 P391 F395 P397 S432 T465 N466	R276-E389 IonicContact NH2-OE1 3.63Å; T387-E389 PolarHBondContact O-N 2.87Å; T387-E389 WeakPolarHBondContact OG1-CB 3.39Å; T387-E389 WeakPolarHBondContact OG1-CG 3.45Å; T387-E389 PolarHBondContact OG1-N 3.15Å; T387-E389 PolarHBondContact OG1-OE2 2.97Å; E389-P391 VanDerWaalsContact O-CD 3.23Å; E389-P391 WeakPolarHBondContact O-CD 3.34Å; E389-F395 HydrophobicContact CB-CB 3.85Å; E389-F395 HydrophobicContact CB-CD1 3.81Å; E389-F395 HydrophobicContact CB-CG 4.32Å; E389-F395 WeakPolarHBondContact CB-O 3.44Å; E389-F395 HydrophobicContact CG-CB 4.35Å; E389-F395 WeakPolarHBondContact CG-O 3.24Å; E389-P397 HydrophobicContact CG-CG 4.29Å; E389-S432 WeakPolarHBondContact CG-OG 3.44Å; E389-T465 CarbonylContact O-C 3.55Å; E389-N466 PolarHBondContact O-N 3.23Å
390	D	89.5	Confident	90.7	Very high	23 Å²	23	37.6 Å²	37.6	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	107.6	177.2	-176.2	-4	0	0	0	110.1	T388 A392 K393 F395 Q396 K464	T388-D390 PolarHBondContact O-N 3.06Å; D390-A392 PolarHBondContact O-N 3.06Å; D390-A392 WeakPolarHBondContact OD1-CB 3.41Å; D390-A392 PolarHBondContact OD1-N 3.48Å; D390-K393 HydrophobicContact CB-CB 4.19Å; D390-K393 CarbonylContact O-C 3.23Å; D390-K393 PolarHBondContact O-N 3.19Å; D390-F395 VanDerWaalsContact O-CA 3.25Å; D390-F395 WeakPolarHBondContact O-CA 3.25Å; D390-F395 PolarHBondContact O-N 3.07Å; D390-Q396 PolarHBondContact N-O 3.41Å; D390-K464 HydrophobicContact CB-CB 3.97Å; D390-K464 HydrophobicContact CB-CG 4.33Å
391	P	87.7	Confident	90.1	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.052	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-65.5	-23.7	-177.7	-14.3	29.7	0	0	0	112.1	E389 K393 Q394 F395 N466 F469 L498	E389-P391 VanDerWaalsContact O-CD 3.23Å; E389-P391 WeakPolarHBondContact O-CD 3.34Å; P391-K393 PolarHBondContact O-N 2.94Å; P391-Q394 PolarHBondContact O-N 3.4Å; P391-F395 HydrophobicContact CB-CD2 4.48Å; P391-F395 HydrophobicContact CB-CE1 4.08Å; P391-F395 HydrophobicContact CB-CE2 4.08Å; P391-F395 HydrophobicContact CB-CZ 3.85Å; P391-F395 HydrophobicContact CG-CD1 4.45Å; P391-F395 HydrophobicContact CG-CE1 4.04Å; P391-F395 HydrophobicContact CG-CZ 4.28Å; P391-N466 HydrophobicContact CG-CB 4.22Å; P391-F469 HydrophobicContact CB-CB 4.07Å; P391-F469 HydrophobicContact CG-CB 3.74Å; P391-L498 HydrophobicContact CB-CD1 3.78Å; P391-L498 HydrophobicContact CG-CD1 4.19Å
392	A	84	Confident	89.6	Confident	80 Å²	80	39.2 Å²	39.2	66%	0.661	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-71.5	-17.6	174.2	0	0	0	0	0	113	D390 L498	D390-A392 PolarHBondContact O-N 3.06Å; D390-A392 WeakPolarHBondContact OD1-CB 3.41Å; D390-A392 PolarHBondContact OD1-N 3.48Å; A392-L498 HydrophobicContact CB-CD1 4.19Å
393	K	83.9	Confident	88.7	Confident	131 Å²	131	41.7 Å²	41.7	57%	0.57	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-114.7	42.2	175.4	-64.6	-175.9	178.3	-176.2	0	111.7	D390 P391 F395 Q396	D390-K393 HydrophobicContact CB-CB 4.19Å; D390-K393 CarbonylContact O-C 3.23Å; D390-K393 PolarHBondContact O-N 3.19Å; P391-K393 PolarHBondContact O-N 2.94Å; K393-F395 PolarHBondContact O-N 3.26Å; K393-F395 VanDerWaalsContact O-N 3.17Å; K393-Q396 HydrophobicContact CB-CB 4.22Å; K393-Q396 WeakPolarHBondContact O-CB 3.24Å; K393-Q396 PolarHBondContact O-N 3.35Å
394	Q	83.9	Confident	88	Confident	149 Å²	149	41.8 Å²	41.8	70%	0.696	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.4	179.2	-58.1	-172.3	-4.4	0	0	113.9	P391 Q396	P391-Q394 PolarHBondContact O-N 3.4Å; Q394-Q396 VanDerWaalsContact C-N 3.31Å; Q394-Q396 PolarHBondContact O-N 3.41Å
395	F	85.1	Confident	87.6	Confident	7 Å²	7	43.8 Å²	43.8	3%	0.031	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	30	-178.4	-65.5	-99.2	0	0	0	114.2	R276 E389 D390 P391 K393 P397 N466 F469 F496	R276-F395 VanDerWaalsContact CD-CD2 3.48Å; R276-F395 VanDerWaalsContact CD-CE2 3.42Å; R276-F395 VanDerWaalsContact CZ-CB 3.48Å; E389-F395 HydrophobicContact CB-CB 3.85Å; E389-F395 HydrophobicContact CB-CD1 3.81Å; E389-F395 HydrophobicContact CB-CG 4.32Å; E389-F395 WeakPolarHBondContact CB-O 3.44Å; E389-F395 HydrophobicContact CG-CB 4.35Å; E389-F395 WeakPolarHBondContact CG-O 3.24Å; D390-F395 VanDerWaalsContact O-CA 3.25Å; D390-F395 WeakPolarHBondContact O-CA 3.25Å; D390-F395 PolarHBondContact O-N 3.07Å; P391-F395 HydrophobicContact CB-CD2 4.48Å; P391-F395 HydrophobicContact CB-CE1 4.08Å; P391-F395 HydrophobicContact CB-CE2 4.08Å; P391-F395 HydrophobicContact CB-CZ 3.85Å; P391-F395 HydrophobicContact CG-CD1 4.45Å; P391-F395 HydrophobicContact CG-CE1 4.04Å; P391-F395 HydrophobicContact CG-CZ 4.28Å; K393-F395 PolarHBondContact O-N 3.26Å; K393-F395 VanDerWaalsContact O-N 3.17Å; F395-P397 WeakPolarHBondContact O-CD 3.46Å; F395-N466 HydrophobicContact CE1-CB 4.36Å; F395-F469 HydrophobicContact CE1-CD1 4.01Å; F395-F469 HydrophobicContact CE1-CE1 4.33Å; F395-F469 HydrophobicContact CE1-CG 4.26Å; F395-F469 AromaticContact CZ-CD1 3.75Å; F395-F469 HydrophobicContact CZ-CD1 3.75Å; F395-F469 AromaticContact CZ-CD2 3.89Å; F395-F469 HydrophobicContact CZ-CD2 3.89Å; F395-F469 AromaticContact CZ-CE1 3.86Å; F395-F469 HydrophobicContact CZ-CE1 3.86Å; F395-F469 AromaticContact CZ-CE2 3.97Å; F395-F469 HydrophobicContact CZ-CE2 3.97Å; F395-F469 AromaticContact CZ-CG 3.78Å; F395-F469 HydrophobicContact CZ-CG 3.78Å; F395-F469 AromaticContact CZ-CZ 3.97Å; F395-F469 HydrophobicContact CZ-CZ 3.97Å; F395-F496 HydrophobicContact CD2-CE1 4.41Å; F395-F496 AromaticContact CE2-CE1 3.59Å; F395-F496 HydrophobicContact CE2-CE1 3.59Å; F395-F496 HydrophobicContact CE2-CZ 4.1Å; F395-F496 HydrophobicContact CZ-CE1 4.44Å
396	Q	85.8	Confident	87.3	Confident	80 Å²	80	44.5 Å²	44.5	37%	0.374	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	126.3	167.8	-173.3	177	16.1	0	0	109.7	D390 K393 Q394 D398	D390-Q396 PolarHBondContact N-O 3.41Å; K393-Q396 HydrophobicContact CB-CB 4.22Å; K393-Q396 WeakPolarHBondContact O-CB 3.24Å; K393-Q396 PolarHBondContact O-N 3.35Å; Q394-Q396 VanDerWaalsContact C-N 3.31Å; Q394-Q396 PolarHBondContact O-N 3.41Å; Q396-D398 PolarHBondContact O-N 2.98Å
397	P	86.7	Confident	87.1	Confident	65 Å²	65	46.2 Å²	46.2	42%	0.422	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	126	175.6	-24.8	35.3	0	0	0	111.9	E389 F395	E389-P397 HydrophobicContact CG-CG 4.29Å; F395-P397 WeakPolarHBondContact O-CD 3.46Å
398	D	87.9	Confident	87	Confident	53 Å²	53	45.8 Å²	45.8	28%	0.283	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-81.5	155.2	169.6	-160.9	14.2	0	0	0	110.8	T388 Q396 V463 K464	T388-D398 VanDerWaalsContact CB-O 3.22Å; T388-D398 WeakPolarHBondContact CB-O 3.41Å; T388-D398 VanDerWaalsContact O-CB 3.32Å; T388-D398 WeakPolarHBondContact O-CB 3.41Å; T388-D398 PolarHBondContact O-N 3.32Å; T388-D398 PolarHBondContact OG1-O 3.2Å; Q396-D398 PolarHBondContact O-N 2.98Å; D398-V463 WeakPolarHBondContact OD2-CA 3.45Å; D398-K464 HydrophobicContact CB-CB 4.12Å; D398-K464 PolarHBondContact OD2-N 3.08Å
399	S	86.2	Confident	87	Confident	54 Å²	54	51.1 Å²	51.1	38%	0.378	27%	0.273	S	S	.	.			trans	-140.8	150.3	-178.4	66.8	0	0	0	0	110.1	I426	S399-I426 WeakPolarHBondContact CB-O 3.48Å
400	G	86.5	Confident	87.2	Confident	27 Å²	27	52.9 Å²	52.9	28%	0.278	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	146.3	-166.1	-175.8	0	0	0	0	0	112.7	I426	G400-I426 PolarHBondContact N-O 2.73Å; G400-I426 VanDerWaalsContact N-O 3.08Å; G400-I426 PolarHBondContact O-N 2.7Å
401	R	84.6	Confident	87.5	Confident	84 Å²	84	59.5 Å²	59.5	32%	0.317	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.4	179.8	-175	174.9	176.7	-174.8	-7.4	110	E403 A424 G462 E1084	R401-E403 PolarHBondContact O-N 2.83Å; R401-A424 CarbonylContact C-O 3.55Å; R401-A424 WeakPolarHBondContact CA-O 3.2Å; R401-G462 CarbonylContact O-C 3.56Å; R401-G462 VanDerWaalsContact O-CA 3.29Å; R401-G462 WeakPolarHBondContact O-CA 3.34Å; R401-E1084 IonicContact CZ-OE1 2.86Å; R401-E1084 IonicContact CZ-OE2 3.19Å; R401-E1084 IonicContact NH1-OE1 2.8Å; R401-E1084 PolarHBondContact NH1-OE1 3.34Å; R401-E1084 IonicContact NH1-OE2 3.23Å; R401-E1084 PolarHBondContact NH1-OE2 3.14Å; R401-E1084 IonicContact NH2-OE1 2.66Å; R401-E1084 PolarHBondContact NH2-OE1 2.84Å; R401-E1084 IonicContact NH2-OE2 2.65Å
402	I	87.3	Confident	87.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.329	C	S	.	.			trans	-76	109.3	168.2	-62.6	-179.5	0	0	0	108	V404 F405 A420 G423 A424 I426 L434 I460 H461 V463	I402-V404 VanDerWaalsContact CG2-O 3.28Å; I402-V404 WeakPolarHBondContact CG2-O 3.45Å; I402-F405 HydrophobicContact CG2-CB 3.9Å; I402-A420 HydrophobicContact CD1-CB 4.06Å; I402-G423 WeakPolarHBondContact O-CA 3.49Å; I402-G423 PolarHBondContact O-N 3.13Å; I402-A424 HydrophobicContact CD1-CB 4.32Å; I402-A424 PolarHBondContact N-O 2.82Å; I402-I426 HydrophobicContact CD1-CD1 3.89Å; I402-I426 HydrophobicContact CD1-CG1 3.94Å; I402-I426 HydrophobicContact CG1-CD1 4.45Å; I402-I426 HydrophobicContact CG1-CG1 4.01Å; I402-L434 HydrophobicContact CD1-CD2 3.91Å; I402-I460 HydrophobicContact CG2-CG2 4.38Å; I402-H461 CarbonylContact C-O 3.53Å; I402-H461 WeakPolarHBondContact CA-O 3.38Å; I402-V463 HydrophobicContact CG1-CG2 4.05Å
403	E	81.4	Confident	88.6	Confident	53 Å²	53	57 Å²	57	25%	0.248	30%	0.303	C	S	.	.	S	Bend	trans	-78.7	-39.2	-179.9	-65.2	175.7	172.6	0	0	111.5	R401 H461 Q506	R401-E403 PolarHBondContact O-N 2.83Å; E403-H461 HydrophobicContact CB-CB 4.46Å; E403-H461 PolarHBondContact N-O 2.69Å; E403-Q506 PolarHBondContact OE2-NE2 2.73Å
404	V	83.5	Confident	89.2	Confident	2 Å²	2	53 Å²	53	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.4	179.3	-177.2	0	0	0	0	108.2	I402 Q406 R459 I460 H461 R1094	I402-V404 VanDerWaalsContact CG2-O 3.28Å; I402-V404 WeakPolarHBondContact CG2-O 3.45Å; V404-Q406 HydrophobicContact CG1-CG 4.27Å; V404-R459 HydrophobicContact CG1-CB 4.37Å; V404-I460 VanDerWaalsContact O-CA 3.31Å; V404-I460 WeakPolarHBondContact O-CA 3.43Å; V404-H461 HydrophobicContact CB-CB 3.88Å; V404-H461 HydrophobicContact CG2-CB 4.05Å; V404-H461 PolarHBondContact O-N 2.8Å; V404-R1094 VanDerWaalsContact CG2-NE 3.35Å
405	F	88.5	Confident	89.8	Confident	42 Å²	42	47.6 Å²	47.6	18%	0.184	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	110.5	170.4	-175.7	-97.8	0	0	0	108.8	I402 A420 F458 R459 I460	I402-F405 HydrophobicContact CG2-CB 3.9Å; F405-A420 HydrophobicContact CD2-CB 3.72Å; F405-A420 WeakPolarHBondContact CE1-O 3.36Å; F405-A420 HydrophobicContact CE2-CB 3.28Å; F405-A420 HydrophobicContact CZ-CB 3.82Å; F405-F458 HydrophobicContact CE2-CE1 4.08Å; F405-F458 HydrophobicContact CZ-CE1 4.02Å; F405-R459 CarbonylContact C-O 3.39Å; F405-R459 WeakPolarHBondContact CA-O 3.45Å; F405-I460 HydrophobicContact CD2-CD1 4.2Å; F405-I460 HydrophobicContact CD2-CG1 4.05Å; F405-I460 HydrophobicContact CE2-CD1 4.06Å; F405-I460 HydrophobicContact CE2-CG1 4.34Å
406	Q	88.2	Confident	90.3	Very high	55 Å²	55	47.5 Å²	47.5	26%	0.257	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.2	167.9	-59.5	176.8	-29.7	0	0	107.9	V404 F458 R459	V404-Q406 HydrophobicContact CG1-CG 4.27Å; Q406-F458 VanDerWaalsContact O-CA 3.32Å; Q406-F458 WeakPolarHBondContact O-CA 3.37Å; Q406-F458 VanDerWaalsContact O-CD1 3.28Å; Q406-F458 WeakPolarHBondContact O-CD1 3.45Å; Q406-R459 HydrophobicContact CB-CB 4.05Å; Q406-R459 HydrophobicContact CG-CB 4.27Å; Q406-R459 PolarHBondContact N-O 3.33Å; Q406-R459 PolarHBondContact O-N 3.29Å
407	S	91.2	Very high	90.3	Very high	37 Å²	37	44.8 Å²	44.8	26%	0.259	25%	0.252	S	S	.	.			trans	-82.2	144	174.9	35.3	0	0	0	0	111.2	E409	S407-E409 WeakPolarHBondContact CB-OE1 3.46Å; S407-E409 PolarHBondContact OG-OE1 2.79Å
408	G	91.9	Very high	89.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.			trans	-85.1	116.8	161.6	0	0	0	0	0	108.9	S454 F458	G408-S454 PolarHBondContact O-OG 2.77Å; G408-F458 VanDerWaalsContact N-CD2 3.27Å
409	E	93	Very high	89	Confident	113 Å²	113	39.8 Å²	39.8	53%	0.528	22%	0.222	S	C	.	.			trans	-130.2	-179.5	-170.2	-63.4	-175.7	179.6	0	0	111.8	S407 V415 R453	S407-E409 WeakPolarHBondContact CB-OE1 3.46Å; S407-E409 PolarHBondContact OG-OE1 2.79Å; E409-V415 HydrophobicContact CG-CG2 4.38Å; E409-R453 PolarHBondContact O-NH1 2.8Å; E409-R453 PolarHBondContact O-NH2 2.79Å
410	G	94.4	Very high	88.8	Confident	47 Å²	47	37.4 Å²	37.4	49%	0.485	21%	0.206	S	C	.	.	S	Bend	trans	120.3	-169.1	172.6	0	0	0	0	0	113.8	G412 I413	G410-G412 PolarHBondContact O-N 3.16Å; G410-G412 VanDerWaalsContact O-N 3.11Å; G410-I413 WeakPolarHBondContact O-CB 3.22Å; G410-I413 PolarHBondContact O-N 2.98Å
411	M	96.1	Very high	88.7	Confident	163 Å²	163	39 Å²	39	80%	0.803	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	116.2	-167.2	-177.9	61.4	81	0	0	113.6	K450	M411-K450 PolarHBondContact O-NZ 2.79Å; M411-K450 VanDerWaalsContact O-NZ 3.13Å
412	G	96.6	Very high	88.7	Confident	12 Å²	12	38.1 Å²	38.1	12%	0.124	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	20.5	-178.3	0	0	0	0	0	114.1	G410 A439 R440	G410-G412 PolarHBondContact O-N 3.16Å; G410-G412 VanDerWaalsContact O-N 3.11Å; G412-A439 CarbonylContact O-C 3.54Å; G412-A439 WeakPolarHBondContact O-CA 3.1Å; G412-R440 PolarHBondContact O-N 3.34Å
413	I	97.9	Very high	88.5	Confident	24 Å²	24	39.5 Å²	39.5	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.5	167.6	-58	-60	0	0	0	108.9	G410 V415 I437 I438 A439 K450 R453	G410-I413 WeakPolarHBondContact O-CB 3.22Å; G410-I413 PolarHBondContact O-N 2.98Å; I413-V415 HydrophobicContact CG2-CG2 4.05Å; I413-I437 HydrophobicContact CG2-CD1 4.26Å; I413-I437 HydrophobicContact CG2-CG1 4.01Å; I413-I438 CarbonylContact C-O 3.5Å; I413-I438 WeakPolarHBondContact CA-O 3.39Å; I413-A439 HydrophobicContact CD1-CB 3.71Å; I413-K450 HydrophobicContact CD1-CB 4.11Å; I413-R453 VanDerWaalsContact CG1-NH2 3.34Å
414	R	97.4	Very high	88.8	Confident	45 Å²	45	37.1 Å²	37.1	17%	0.17	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.1	169.3	164.8	-179.5	171.7	172.3	3.4	109.4	E345 E346 D416 I438	E345-R414 IonicContact OE2-CZ 2.65Å; E345-R414 VanDerWaalsContact OE2-CZ 3.25Å; E345-R414 IonicContact OE2-NH1 3.58Å; E345-R414 PolarHBondContact OE2-NH1 3.17Å; E345-R414 IonicContact OE2-NH2 2.98Å; E345-R414 PolarHBondContact OE2-NH2 3.44Å; E346-R414 WeakPolarHBondContact OE1-CD 3.2Å; E346-R414 IonicContact OE1-NH1 3.23Å; R414-D416 WeakPolarHBondContact CG-OD1 3.47Å; R414-D416 IonicContact CZ-OD1 3.92Å; R414-D416 IonicContact NE-OD1 3.26Å; R414-D416 PolarHBondContact NE-OD1 3.17Å; R414-D416 IonicContact NE-OD2 3.2Å; R414-D416 IonicContact NH2-OD1 3.83Å; R414-D416 IonicContact NH2-OD2 2.65Å; R414-D416 PolarHBondContact NH2-OD2 3.48Å; R414-I438 HydrophobicContact CB-CB 4.17Å; R414-I438 HydrophobicContact CG-CD1 4.22Å; R414-I438 PolarHBondContact N-O 3.29Å; R414-I438 PolarHBondContact O-N 3.28Å
415	V	95.9	Very high	89	Confident	37 Å²	37	42.6 Å²	42.6	22%	0.224	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	117.3	-176.9	-175.4	0	0	0	0	110.1	E409 I413 V435	E409-V415 HydrophobicContact CG-CG2 4.38Å; I413-V415 HydrophobicContact CG2-CG2 4.05Å; V415-V435 HydrophobicContact CG1-CG2 3.4Å; V415-V435 VanDerWaalsContact CG1-CG2 3.4Å
416	D	95	Very high	89.1	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	100.7	173.6	-65.4	74.7	0	0	0	108.1	R414 K436	R414-D416 WeakPolarHBondContact CG-OD1 3.47Å; R414-D416 IonicContact CZ-OD1 3.92Å; R414-D416 IonicContact NE-OD1 3.26Å; R414-D416 PolarHBondContact NE-OD1 3.17Å; R414-D416 IonicContact NE-OD2 3.2Å; R414-D416 IonicContact NH2-OD1 3.83Å; R414-D416 IonicContact NH2-OD2 2.65Å; R414-D416 PolarHBondContact NH2-OD2 3.48Å; D416-K436 HydrophobicContact CB-CB 4.28Å; D416-K436 PolarHBondContact N-O 2.99Å; D416-K436 PolarHBondContact O-N 3.17Å
417	S	87	Confident	89	Confident	24 Å²	24	39.8 Å²	39.8	17%	0.168	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.2	-176.8	-177.1	0	0	0	0	111.1	A420	S417-A420 PolarHBondContact OG-O 3.32Å
418	A	72.9	Confident	88.8	Confident	2 Å²	2	41.3 Å²	41.3	2%	0.017	25%	0.247	C	C	.	.	S	Bend	trans	-136.4	-47	168.4	0	0	0	0	0	114.4	G53 E54 I57 M82	G53-A418 VanDerWaalsContact CA-CB 3.5Å; G53-A418 WeakPolarHBondContact O-CB 3.33Å; E54-A418 HydrophobicContact CB-CB 4.13Å; I57-A418 HydrophobicContact CD1-CB 3.64Å; I57-A418 HydrophobicContact CG1-CB 4.46Å; M82-A418 WeakPolarHBondContact CB-O 3.33Å
419	S	72.4	Confident	88.5	Confident	11 Å²	11	47.2 Å²	47.2	8%	0.077	27%	0.27	C	S	.	.	S	Bend	trans	-92.1	-15.3	-170.6	-47.5	0	0	0	0	112.7	A424	S419-A424 WeakPolarHBondContact O-CB 3.46Å
420	A	82.6	Confident	88.3	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	25%	0.251	C	S	.	.			trans	-103.9	107.7	-168.7	0	0	0	0	0	111.7	I402 F405 S417 L434	I402-A420 HydrophobicContact CD1-CB 4.06Å; F405-A420 HydrophobicContact CD2-CB 3.72Å; F405-A420 WeakPolarHBondContact CE1-O 3.36Å; F405-A420 HydrophobicContact CE2-CB 3.28Å; F405-A420 HydrophobicContact CZ-CB 3.82Å; S417-A420 PolarHBondContact OG-O 3.32Å; A420-L434 HydrophobicContact CB-CB 3.87Å; A420-L434 HydrophobicContact CB-CD2 4.23Å; A420-L434 WeakPolarHBondContact CB-O 3.47Å
421	F	85.7	Confident	87.9	Confident	61 Å²	61	45.3 Å²	45.3	27%	0.268	25%	0.251	S	S	.	.	S	Bend	trans	-150.9	160	171	55.1	-87.1	0	0	0	108.9	M82 G423 A424	M82-F421 HydrophobicContact CE-CB 4.14Å; M82-F421 HydrophobicContact CE-CD1 3.53Å; M82-F421 HydrophobicContact CE-CE1 4.14Å; M82-F421 HydrophobicContact CE-CG 3.97Å; F421-G423 PolarHBondContact O-N 3.01Å; F421-A424 HydrophobicContact CD1-CB 3.75Å; F421-A424 HydrophobicContact CD2-CB 3.91Å; F421-A424 HydrophobicContact CE1-CB 3.64Å; F421-A424 HydrophobicContact CE2-CB 3.8Å; F421-A424 HydrophobicContact CG-CB 3.89Å; F421-A424 HydrophobicContact CZ-CB 3.67Å; F421-A424 WeakPolarHBondContact O-CB 3.37Å; F421-A424 PolarHBondContact O-N 2.78Å
422	A	84.5	Confident	87.6	Confident	66 Å²	66	38.4 Å²	38.4	55%	0.545	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	124	177	0	0	0	0	0	110.2
423	G	82.5	Confident	87.4	Confident	29 Å²	29	38.8 Å²	38.8	30%	0.299	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-6.2	-174.6	0	0	0	0	0	115.5	I402 F421	I402-G423 WeakPolarHBondContact O-CA 3.49Å; I402-G423 PolarHBondContact O-N 3.13Å; F421-G423 PolarHBondContact O-N 3.01Å
424	A	87.4	Confident	87.2	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.017	21%	0.212	C	C	.	.			trans	-61.9	139.5	178.1	0	0	0	0	0	111.8	R401 I402 S419 F421	R401-A424 CarbonylContact C-O 3.55Å; R401-A424 WeakPolarHBondContact CA-O 3.2Å; I402-A424 HydrophobicContact CD1-CB 4.32Å; I402-A424 PolarHBondContact N-O 2.82Å; S419-A424 WeakPolarHBondContact O-CB 3.46Å; F421-A424 HydrophobicContact CD1-CB 3.75Å; F421-A424 HydrophobicContact CD2-CB 3.91Å; F421-A424 HydrophobicContact CE1-CB 3.64Å; F421-A424 HydrophobicContact CE2-CB 3.8Å; F421-A424 HydrophobicContact CG-CB 3.89Å; F421-A424 HydrophobicContact CZ-CB 3.67Å; F421-A424 WeakPolarHBondContact O-CB 3.37Å; F421-A424 PolarHBondContact O-N 2.78Å
425	I	88.5	Confident	87.1	Confident	117 Å²	117	35.7 Å²	35.7	60%	0.6	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	112	174.7	-58.5	176.4	0	0	0	108.4	S427	I425-S427 PolarHBondContact O-N 2.99Å
426	I	89.9	Confident	87.1	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.5	174.2	-52.1	-55.1	0	0	0	108.7	T388 S399 G400 I402 L434	T388-I426 HydrophobicContact CG2-CG1 4.37Å; T388-I426 HydrophobicContact CG2-CG2 3.93Å; S399-I426 WeakPolarHBondContact CB-O 3.48Å; G400-I426 PolarHBondContact N-O 2.73Å; G400-I426 VanDerWaalsContact N-O 3.08Å; G400-I426 PolarHBondContact O-N 2.7Å; I402-I426 HydrophobicContact CD1-CD1 3.89Å; I402-I426 HydrophobicContact CD1-CG1 3.94Å; I402-I426 HydrophobicContact CG1-CD1 4.45Å; I402-I426 HydrophobicContact CG1-CG1 4.01Å; I426-L434 HydrophobicContact CD1-CD2 3.6Å; I426-L434 HydrophobicContact CG1-CD2 3.91Å
427	S	86.5	Confident	87.2	Confident	26 Å²	26	33.7 Å²	33.7	18%	0.182	19%	0.192	C	C	.	.			trans	-89.9	152.3	179.7	76.9	0	0	0	0	111.5	I425 Y429	I425-S427 PolarHBondContact O-N 2.99Å; S427-Y429 PolarHBondContact O-N 2.93Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.4Å
428	P	85.7	Confident	87.7	Confident	69 Å²	69	32.6 Å²	32.6	45%	0.448	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	8.2	176.9	34	-37.4	0	0	0	113.7	M1152	P428-M1152 HydrophobicContact CB-CE 4.31Å
429	Y	85.5	Confident	89	Confident	123 Å²	123	32.5 Å²	32.5	48%	0.482	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-18.3	-170.1	-57	-55	0	0	0	115	Q77 P99 S427	Q77-Y429 HydrophobicContact CB-CD2 3.79Å; Q77-Y429 HydrophobicContact CB-CE2 4.11Å; Q77-Y429 HydrophobicContact CG-CD2 3.62Å; Q77-Y429 HydrophobicContact CG-CE2 3.56Å; Q77-Y429 HydrophobicContact CG-CG 4.4Å; P99-Y429 HydrophobicContact CB-CG 4.28Å; P99-Y429 HydrophobicContact CG-CD1 3.83Å; P99-Y429 HydrophobicContact CG-CD2 4.33Å; P99-Y429 HydrophobicContact CG-CE1 4.45Å; P99-Y429 HydrophobicContact CG-CG 3.77Å; S427-Y429 PolarHBondContact O-N 2.93Å; S427-Y429 WeakPolarHBondContact OG-CD2 3.4Å
430	Y	88.7	Confident	90.2	Very high	31 Å²	31	37.8 Å²	37.8	12%	0.122	20%	0.202	C	C	.	.	S	Bend	trans	-127.8	-174.4	-171.7	-59.6	-66.4	0	0	0	111	R52 S75 Q77 D78 P99 Y103	R52-Y430 VanDerWaalsContact CZ-CG 3.48Å; S75-Y430 WeakPolarHBondContact CB-OH 3.47Å; S75-Y430 PolarHBondContact OG-OH 2.95Å; Q77-Y430 HydrophobicContact CB-CE2 4.3Å; D78-Y430 VanDerWaalsContact CG-CE2 3.44Å; D78-Y430 WeakPolarHBondContact OD1-CE2 3.45Å; D78-Y430 WeakPolarHBondContact OD2-CE2 3.49Å; D78-Y430 PolarHBondContact OD2-OH 3.46Å; P99-Y430 HydrophobicContact CB-CE1 4.04Å; P99-Y430 HydrophobicContact CB-CE2 4.42Å; P99-Y430 VanDerWaalsContact CB-OH 3.28Å; P99-Y430 WeakPolarHBondContact CB-OH 3.48Å; P99-Y430 PolarHBondContact O-OH 3.1Å; Y103-Y430 HydrophobicContact CD2-CE1 4.15Å; Y103-Y430 AromaticContact CE2-CE1 3.92Å; Y103-Y430 HydrophobicContact CE2-CE1 3.92Å
431	D	87.2	Confident	90.9	Very high	90 Å²	90	38.3 Å²	38.3	48%	0.481	21%	0.206	S	C	.	.			trans	-60.5	151.7	171.7	65.2	-38.9	0	0	0	111.9	R52 L433	R52-D431 IonicContact NH1-OD1 3.49Å; R52-D431 PolarHBondContact NH1-OD1 3.14Å; D431-L433 PolarHBondContact O-N 3.35Å; D431-L433 WeakPolarHBondContact OD2-CB 3.38Å
432	S	90	Very high	91.4	Very high	17 Å²	17	39.9 Å²	39.9	12%	0.119	23%	0.225	C	C	.	.			trans	-80.4	6.8	-175.6	53.5	0	0	0	0	113.7	T387 T388 E389 L434	T387-S432 CarbonylContact C-O 3.56Å; T387-S432 WeakPolarHBondContact CA-O 3.47Å; T387-S432 WeakPolarHBondContact CB-O 3.3Å; T388-S432 PolarHBondContact N-O 2.93Å; T388-S432 WeakPolarHBondContact OG1-CB 3.39Å; E389-S432 WeakPolarHBondContact CG-OG 3.44Å; S432-L434 PolarHBondContact O-N 3.41Å
433	L	92.6	Very high	91.9	Very high	20 Å²	20	39.8 Å²	39.8	11%	0.105	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.3	-174.4	-177	66.2	0	0	0	111.6	E54 R385 D431 K436	E54-L433 HydrophobicContact CG-CD2 3.89Å; R385-L433 HydrophobicContact CB-CD1 3.94Å; R385-L433 HydrophobicContact CG-CD1 4.41Å; D431-L433 PolarHBondContact O-N 3.35Å; D431-L433 WeakPolarHBondContact OD2-CB 3.38Å; L433-K436 HydrophobicContact CD1-CG 4.22Å; L433-K436 HydrophobicContact CD2-CG 4.15Å
434	L	93.5	Very high	92.5	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-55.5	172.5	-66	-176.4	0	0	0	110.8	I386 T388 I402 A420 I426 S432 I460 V463 T465	I386-L434 HydrophobicContact CG2-CB 4.48Å; I386-L434 HydrophobicContact CG2-CD1 4.41Å; I386-L434 WeakPolarHBondContact O-CB 3.19Å; I386-L434 PolarHBondContact O-N 3.25Å; T388-L434 HydrophobicContact CG2-CD1 3.9Å; T388-L434 HydrophobicContact CG2-CD2 3.66Å; T388-L434 HydrophobicContact CG2-CG 3.82Å; I402-L434 HydrophobicContact CD1-CD2 3.91Å; A420-L434 HydrophobicContact CB-CB 3.87Å; A420-L434 HydrophobicContact CB-CD2 4.23Å; A420-L434 WeakPolarHBondContact CB-O 3.47Å; I426-L434 HydrophobicContact CD1-CD2 3.6Å; I426-L434 HydrophobicContact CG1-CD2 3.91Å; S432-L434 PolarHBondContact O-N 3.41Å; L434-I460 HydrophobicContact CD1-CD1 3.95Å; L434-I460 HydrophobicContact CD1-CG2 4.2Å; L434-V463 HydrophobicContact CD1-CG2 4.41Å; L434-T465 HydrophobicContact CD1-CG2 3.95Å
435	V	94.7	Very high	93	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	142.2	-173.9	59.6	0	0	0	0	110.5	I386 V415 F458	I386-V435 HydrophobicContact CB-CG1 3.7Å; I386-V435 HydrophobicContact CD1-CG1 3.81Å; I386-V435 HydrophobicContact CG1-CG1 4.12Å; I386-V435 HydrophobicContact CG2-CG1 4.26Å; I386-V435 PolarHBondContact N-O 2.93Å; I386-V435 PolarHBondContact O-N 3.26Å; V415-V435 HydrophobicContact CG1-CG2 3.4Å; V415-V435 VanDerWaalsContact CG1-CG2 3.4Å; V435-F458 HydrophobicContact CG1-CE1 3.76Å; V435-F458 HydrophobicContact CG1-CZ 3.92Å; V435-F458 HydrophobicContact CG2-CZ 4.33Å
436	K	96.2	Very high	93.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.4	165.9	-51.4	-174.7	-52.2	-175.1	0	108.6	E54 V339 D416 L433 I438	E54-K436 HydrophobicContact CG-CD 4.25Å; E54-K436 WeakPolarHBondContact OE1-CD 3.45Å; E54-K436 WeakPolarHBondContact OE1-CE 3.18Å; E54-K436 IonicContact OE1-NZ 2.72Å; E54-K436 PolarHBondContact OE1-NZ 2.99Å; E54-K436 WeakPolarHBondContact OE2-CE 3.31Å; E54-K436 IonicContact OE2-NZ 3.59Å; E54-K436 PolarHBondContact OE2-NZ 2.96Å; V339-K436 HydrophobicContact CG1-CD 3.49Å; V339-K436 VanDerWaalsContact CG1-CD 3.49Å; V339-K436 PolarHBondContact O-NZ 2.99Å; D416-K436 HydrophobicContact CB-CB 4.28Å; D416-K436 PolarHBondContact N-O 2.99Å; D416-K436 PolarHBondContact O-N 3.17Å; L433-K436 HydrophobicContact CD1-CG 4.22Å; L433-K436 HydrophobicContact CD2-CG 4.15Å; K436-I438 HydrophobicContact CB-CD1 4.14Å
437	I	97.2	Very high	93.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.1	175.5	-171.9	174.1	0	0	0	109	Q383 C384 I386 I413 M451 S454 L455 F458	Q383-I437 CarbonylContact C-O 3.29Å; Q383-I437 VanDerWaalsContact CA-O 3.29Å; Q383-I437 WeakPolarHBondContact CA-O 3.34Å; C384-I437 HydrophobicContact CB-CG2 3.77Å; C384-I437 PolarHBondContact N-O 2.92Å; C384-I437 WeakPolarHBondContact O-CG2 3.42Å; C384-I437 PolarHBondContact O-N 3.31Å; I386-I437 HydrophobicContact CD1-CG2 4.39Å; I386-I437 HydrophobicContact CG1-CG2 4.42Å; I413-I437 HydrophobicContact CG2-CD1 4.26Å; I413-I437 HydrophobicContact CG2-CG1 4.01Å; I437-M451 HydrophobicContact CD1-SD 4.23Å; I437-M451 HydrophobicContact CG1-SD 4.27Å; I437-M451 HydrophobicContact CG2-CE 3.98Å; I437-M451 HydrophobicContact CG2-SD 3.61Å; I437-M451 WeakPolarHBondContact O-CE 3.4Å; I437-S454 VanDerWaalsContact CD1-CB 3.42Å; I437-S454 VanDerWaalsContact CD1-OG 3.26Å; I437-S454 WeakPolarHBondContact CD1-OG 3.16Å; I437-L455 HydrophobicContact CG2-CD2 4.31Å; I437-F458 HydrophobicContact CD1-CD2 4.14Å; I437-F458 HydrophobicContact CD1-CE2 3.57Å; I437-F458 HydrophobicContact CG1-CE2 4.48Å
438	I	98.3	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.2	-179.6	-54.8	78.8	0	0	0	108.4	T342 V343 E346 A381 I382 Q383 I413 R414 K436	T342-I438 HydrophobicContact CG2-CD1 4.25Å; T342-I438 WeakPolarHBondContact OG1-CG1 3.14Å; V343-I438 HydrophobicContact CG1-CG2 3.95Å; E346-I438 HydrophobicContact CG-CG2 3.74Å; A381-I438 HydrophobicContact CB-CG2 4.32Å; I382-I438 CarbonylContact O-C 3.56Å; I382-I438 VanDerWaalsContact O-CA 3.26Å; I382-I438 WeakPolarHBondContact O-CA 3.2Å; Q383-I438 HydrophobicContact CB-CG1 4.03Å; Q383-I438 HydrophobicContact CG-CD1 4.4Å; Q383-I438 HydrophobicContact CG-CG1 4.02Å; I413-I438 CarbonylContact C-O 3.5Å; I413-I438 WeakPolarHBondContact CA-O 3.39Å; R414-I438 HydrophobicContact CB-CB 4.17Å; R414-I438 HydrophobicContact CG-CD1 4.22Å; R414-I438 PolarHBondContact N-O 3.29Å; R414-I438 PolarHBondContact O-N 3.28Å; K436-I438 HydrophobicContact CB-CD1 4.14Å
439	A	98.4	Very high	94.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.8	176.8	0	0	0	0	0	110.3	A381 I382 G412 I413 K450 M451	A381-A439 CarbonylContact C-O 3.55Å; A381-A439 VanDerWaalsContact CA-O 3.25Å; A381-A439 WeakPolarHBondContact CA-O 3.47Å; I382-A439 PolarHBondContact N-O 3.33Å; I382-A439 PolarHBondContact O-N 3.21Å; G412-A439 CarbonylContact O-C 3.54Å; G412-A439 WeakPolarHBondContact O-CA 3.1Å; I413-A439 HydrophobicContact CD1-CB 3.71Å; A439-K450 HydrophobicContact CB-CB 4.13Å; A439-M451 HydrophobicContact CB-CB 3.81Å; A439-M451 HydrophobicContact CB-CE 3.86Å
440	R	98.2	Very high	95.4	Very high	121 Å²	121	40.1 Å²	40.1	46%	0.457	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143	175.3	70.5	154.9	-174.4	-164.6	8.6	113.9	E346 F380 A381 G412 K450	E346-R440 HydrophobicContact CB-CB 4.35Å; E346-R440 WeakPolarHBondContact OE2-CD 3.48Å; E346-R440 IonicContact OE2-CZ 2.84Å; E346-R440 IonicContact OE2-NE 2.74Å; E346-R440 IonicContact OE2-NH1 2.88Å; F380-R440 VanDerWaalsContact O-CA 3.27Å; F380-R440 WeakPolarHBondContact O-CA 3.08Å; A381-R440 HydrophobicContact CB-CB 4.4Å; G412-R440 PolarHBondContact O-N 3.34Å; R440-K450 WeakPolarHBondContact O-CD 3.28Å; R440-K450 PolarHBondContact O-NZ 2.88Å
441	A	97.8	Very high	95.9	Very high	14 Å²	14	38.6 Å²	38.6	12%	0.116	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	171.7	173.9	0	0	0	0	0	111.7	G379 F380 D443 L446 A447 K450	G379-A441 CarbonylContact C-O 3.56Å; G379-A441 VanDerWaalsContact CA-O 3.27Å; G379-A441 WeakPolarHBondContact CA-O 3.31Å; F380-A441 PolarHBondContact N-O 3.3Å; F380-A441 PolarHBondContact O-N 3.03Å; A441-D443 VanDerWaalsContact C-N 3.27Å; A441-D443 PolarHBondContact O-N 3.46Å; A441-L446 HydrophobicContact CB-CB 3.81Å; A441-L446 HydrophobicContact CB-CD2 3.97Å; A441-L446 HydrophobicContact CB-CG 3.69Å; A441-A447 HydrophobicContact CB-CB 3.96Å; A441-K450 HydrophobicContact CB-CD 4.35Å
442	S	96.1	Very high	96.3	Very high	94 Å²	94	36.5 Å²	36.5	66%	0.657	18%	0.178	S	C	*	.	S	Bend	trans	-64.6	-29.6	175.1	45.4	0	0	0	0	113.6
443	D	94.4	Very high	96.7	Very high	65 Å²	65	39.4 Å²	39.4	35%	0.348	19%	0.186	S	C	.	.	S	Bend	trans	-132.3	153.2	179.7	69.9	93.4	0	0	0	111.5	A441 R445 L446 A447	A441-D443 VanDerWaalsContact C-N 3.27Å; A441-D443 PolarHBondContact O-N 3.46Å; D443-R445 PolarHBondContact O-N 2.68Å; D443-R445 PolarHBondContact OD1-N 2.92Å; D443-L446 VanDerWaalsContact CG-CB 3.43Å; D443-L446 PolarHBondContact O-N 2.95Å; D443-L446 VanDerWaalsContact OD1-CB 3.3Å; D443-L446 WeakPolarHBondContact OD1-CB 3.36Å; D443-L446 PolarHBondContact OD1-N 3.48Å; D443-L446 WeakPolarHBondContact OD2-CB 3.38Å; D443-A447 PolarHBondContact O-N 3.37Å
444	F	96.4	Very high	96.9	Very high	17 Å²	17	38.4 Å²	38.4	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-41	-174.7	176.8	-119	0	0	0	113.2	I284 P288 F380 I382 L446 A447 A448 F479	I284-F444 HydrophobicContact CD1-CE2 3.75Å; I284-F444 HydrophobicContact CD1-CZ 3.83Å; I284-F444 HydrophobicContact CG1-CE2 4.12Å; I284-F444 HydrophobicContact CG2-CD2 3.93Å; I284-F444 HydrophobicContact CG2-CE2 3.63Å; P288-F444 HydrophobicContact CB-CD1 4.24Å; P288-F444 HydrophobicContact CB-CE1 4.39Å; P288-F444 HydrophobicContact CB-CG 4.37Å; P288-F444 HydrophobicContact CG-CE1 4.36Å; P288-F444 HydrophobicContact CG-CE2 4.44Å; P288-F444 HydrophobicContact CG-CZ 4.26Å; F380-F444 HydrophobicContact CB-CB 4.29Å; F380-F444 HydrophobicContact CB-CD2 4.49Å; F380-F444 HydrophobicContact CD1-CB 3.89Å; F380-F444 HydrophobicContact CD1-CD2 4.22Å; F380-F444 HydrophobicContact CD1-CG 4.4Å; F380-F444 HydrophobicContact CD2-CB 4.01Å; F380-F444 HydrophobicContact CE1-CB 4.19Å; F380-F444 HydrophobicContact CE2-CB 4.3Å; F380-F444 HydrophobicContact CG-CB 3.79Å; F380-F444 HydrophobicContact CZ-CB 4.38Å; I382-F444 HydrophobicContact CD1-CD2 3.97Å; I382-F444 HydrophobicContact CD1-CE2 3.59Å; I382-F444 HydrophobicContact CD1-CZ 4.48Å; I382-F444 HydrophobicContact CG1-CD2 4.28Å; I382-F444 HydrophobicContact CG1-CE2 3.96Å; F444-L446 VanDerWaalsContact C-N 3.33Å; F444-L446 PolarHBondContact O-N 3.05Å; F444-A447 PolarHBondContact O-N 3.13Å; F444-A448 PolarHBondContact O-N 3.33Å; F444-F479 WeakPolarHBondContact CE1-O 3.22Å; F444-F479 HydrophobicContact CE2-CE1 4.23Å; F444-F479 HydrophobicContact CE2-CZ 4.21Å; F444-F479 HydrophobicContact CZ-CD1 4.15Å; F444-F479 AromaticContact CZ-CE1 3.7Å; F444-F479 HydrophobicContact CZ-CE1 3.7Å; F444-F479 AromaticContact CZ-CZ 3.91Å; F444-F479 HydrophobicContact CZ-CZ 3.91Å; F444-F479 WeakPolarHBondContact CZ-O 3.29Å
445	R	96.2	Very high	97	Very high	109 Å²	109	38.3 Å²	38.3	41%	0.411	18%	0.181	S	C	.	.	H	α-helix	trans	-66.9	-35.5	179	-73.1	-169.1	178.7	-108.1	2.9	111.4	D443 A448 K449 E477	D443-R445 PolarHBondContact O-N 2.68Å; D443-R445 PolarHBondContact OD1-N 2.92Å; R445-A448 PolarHBondContact O-N 3.29Å; R445-K449 WeakPolarHBondContact O-CG 3.28Å; R445-K449 PolarHBondContact O-N 3.36Å; R445-E477 IonicContact CZ-OE1 2.67Å; R445-E477 IonicContact NH1-OE1 3.6Å; R445-E477 PolarHBondContact NH1-OE1 3.11Å; R445-E477 IonicContact NH1-OE2 3.38Å; R445-E477 IonicContact NH2-OE1 3.57Å; R445-E477 PolarHBondContact NH2-OE1 3.48Å
446	L	96.7	Very high	97	Very high	64 Å²	64	40.2 Å²	40.2	34%	0.335	20%	0.196	S	C	.	.	H	α-helix	trans	-71	-37.7	174	-175.8	58.2	0	0	0	112	A441 D443 F444 A448 K449 K450	A441-L446 HydrophobicContact CB-CB 3.81Å; A441-L446 HydrophobicContact CB-CD2 3.97Å; A441-L446 HydrophobicContact CB-CG 3.69Å; D443-L446 VanDerWaalsContact CG-CB 3.43Å; D443-L446 PolarHBondContact O-N 2.95Å; D443-L446 VanDerWaalsContact OD1-CB 3.3Å; D443-L446 WeakPolarHBondContact OD1-CB 3.36Å; D443-L446 PolarHBondContact OD1-N 3.48Å; D443-L446 WeakPolarHBondContact OD2-CB 3.38Å; F444-L446 VanDerWaalsContact C-N 3.33Å; F444-L446 PolarHBondContact O-N 3.05Å; L446-A448 VanDerWaalsContact C-N 3.31Å; L446-A448 PolarHBondContact O-N 2.95Å; L446-K449 PolarHBondContact O-N 3.34Å; L446-K450 WeakPolarHBondContact O-CG 3.46Å; L446-K450 PolarHBondContact O-N 3.3Å
447	A	97.8	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-43.5	172.2	0	0	0	0	0	110.6	F380 I382 A441 D443 F444 K450 M451	F380-A447 HydrophobicContact CB-CB 4.38Å; I382-A447 HydrophobicContact CD1-CB 3.93Å; I382-A447 HydrophobicContact CG1-CB 4.16Å; A441-A447 HydrophobicContact CB-CB 3.96Å; D443-A447 PolarHBondContact O-N 3.37Å; F444-A447 PolarHBondContact O-N 3.13Å; A447-K450 PolarHBondContact O-N 2.77Å; A447-M451 WeakPolarHBondContact O-CB 3.44Å; A447-M451 PolarHBondContact O-N 2.86Å
448	A	97.8	Very high	96.6	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-43.2	174	0	0	0	0	0	112.5	I382 F444 R445 L446 K450 M451 L452 I474 F479 L480	I382-A448 HydrophobicContact CD1-CB 3.97Å; F444-A448 PolarHBondContact O-N 3.33Å; R445-A448 PolarHBondContact O-N 3.29Å; L446-A448 VanDerWaalsContact C-N 3.31Å; L446-A448 PolarHBondContact O-N 2.95Å; A448-K450 PolarHBondContact O-N 3.49Å; A448-M451 WeakPolarHBondContact O-CB 3.43Å; A448-M451 PolarHBondContact O-N 3.29Å; A448-L452 WeakPolarHBondContact O-CB 3.26Å; A448-L452 PolarHBondContact O-N 3.08Å; A448-I474 HydrophobicContact CB-CG2 3.95Å; A448-I474 WeakPolarHBondContact O-CG2 3.42Å; A448-F479 HydrophobicContact CB-CE1 4.34Å; A448-L480 HydrophobicContact CB-CD2 3.69Å
449	K	97.5	Very high	96.1	Very high	148 Å²	148	49.7 Å²	49.7	64%	0.643	24%	0.236	S	C	*	.	H	α-helix	trans	-61.2	-42.3	174.3	-76.3	176.8	179.8	179.9	0	112.3	R445 L446 L452 R453	R445-K449 WeakPolarHBondContact O-CG 3.28Å; R445-K449 PolarHBondContact O-N 3.36Å; L446-K449 PolarHBondContact O-N 3.34Å; K449-L452 PolarHBondContact O-N 2.87Å; K449-R453 WeakPolarHBondContact O-CB 3.5Å; K449-R453 PolarHBondContact O-N 3.3Å
450	K	98	Very high	95.6	Very high	45 Å²	45	50.4 Å²	50.4	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-45.2	175.2	-75.1	-174.6	-178.5	-170	0	111.4	M411 I413 A439 R440 A441 L446 A447 A448 L452 R453 S454	M411-K450 PolarHBondContact O-NZ 2.79Å; M411-K450 VanDerWaalsContact O-NZ 3.13Å; I413-K450 HydrophobicContact CD1-CB 4.11Å; A439-K450 HydrophobicContact CB-CB 4.13Å; R440-K450 WeakPolarHBondContact O-CD 3.28Å; R440-K450 PolarHBondContact O-NZ 2.88Å; A441-K450 HydrophobicContact CB-CD 4.35Å; L446-K450 WeakPolarHBondContact O-CG 3.46Å; L446-K450 PolarHBondContact O-N 3.3Å; A447-K450 PolarHBondContact O-N 2.77Å; A448-K450 PolarHBondContact O-N 3.49Å; K450-L452 VanDerWaalsContact C-N 3.35Å; K450-L452 PolarHBondContact O-N 3.28Å; K450-R453 PolarHBondContact O-N 3.03Å; K450-S454 WeakPolarHBondContact O-CB 3.44Å; K450-S454 PolarHBondContact O-N 2.87Å
451	M	98.2	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-49	174.5	-179	55.8	76.3	0	0	111.1	I382 C384 I437 A439 A447 A448 R453 S454 L455 I474	I382-M451 HydrophobicContact CB-CE 4.3Å; I382-M451 HydrophobicContact CG2-CE 4.16Å; I382-M451 WeakPolarHBondContact O-CE 3.27Å; C384-M451 HydrophobicContact CB-CE 4.12Å; C384-M451 HydrophobicContact CB-SD 4.01Å; I437-M451 HydrophobicContact CD1-SD 4.23Å; I437-M451 HydrophobicContact CG1-SD 4.27Å; I437-M451 HydrophobicContact CG2-CE 3.98Å; I437-M451 HydrophobicContact CG2-SD 3.61Å; I437-M451 WeakPolarHBondContact O-CE 3.4Å; A439-M451 HydrophobicContact CB-CB 3.81Å; A439-M451 HydrophobicContact CB-CE 3.86Å; A447-M451 WeakPolarHBondContact O-CB 3.44Å; A447-M451 PolarHBondContact O-N 2.86Å; A448-M451 WeakPolarHBondContact O-CB 3.43Å; A448-M451 PolarHBondContact O-N 3.29Å; M451-R453 PolarHBondContact O-N 3Å; M451-S454 PolarHBondContact O-N 2.77Å; M451-L455 HydrophobicContact CG-CD1 3.97Å; M451-L455 HydrophobicContact CG-CG 4.37Å; M451-L455 WeakPolarHBondContact O-CB 3.42Å; M451-L455 WeakPolarHBondContact O-CG 3.45Å; M451-L455 PolarHBondContact O-N 2.84Å; M451-L455 HydrophobicContact SD-CD1 4.17Å; M451-L455 HydrophobicContact SD-CG 4.05Å; M451-I474 HydrophobicContact CG-CD1 4.12Å; M451-I474 HydrophobicContact CG-CG1 4.02Å
452	L	97.2	Very high	94.2	Very high	45 Å²	45	47.7 Å²	47.7	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-45.4	179.6	179.4	62.8	0	0	0	112.2	A448 K449 K450 S454 L455 A456 M471 I474 K475	A448-L452 WeakPolarHBondContact O-CB 3.26Å; A448-L452 PolarHBondContact O-N 3.08Å; K449-L452 PolarHBondContact O-N 2.87Å; K450-L452 VanDerWaalsContact C-N 3.35Å; K450-L452 PolarHBondContact O-N 3.28Å; L452-S454 VanDerWaalsContact C-N 3.31Å; L452-S454 PolarHBondContact O-N 2.78Å; L452-L455 PolarHBondContact O-N 3.2Å; L452-A456 VanDerWaalsContact O-CB 3.28Å; L452-A456 WeakPolarHBondContact O-CB 3.05Å; L452-A456 PolarHBondContact O-N 3.47Å; L452-M471 HydrophobicContact CD1-CB 3.98Å; L452-M471 HydrophobicContact CD1-CE 3.71Å; L452-M471 HydrophobicContact CD1-CG 3.96Å; L452-I474 HydrophobicContact CB-CG2 4.19Å; L452-K475 HydrophobicContact CD1-CD 4.42Å; L452-K475 HydrophobicContact CD1-CG 4.14Å; L452-K475 HydrophobicContact CD2-CG 3.93Å
453	R	97.4	Very high	93.8	Very high	78 Å²	78	43.7 Å²	43.7	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-45.8	176	-177.1	-84.7	-58.1	170.2	-5.8	110.7	E409 I413 K449 K450 M451 A456 E457	E409-R453 PolarHBondContact O-NH1 2.8Å; E409-R453 PolarHBondContact O-NH2 2.79Å; I413-R453 VanDerWaalsContact CG1-NH2 3.34Å; K449-R453 WeakPolarHBondContact O-CB 3.5Å; K449-R453 PolarHBondContact O-N 3.3Å; K450-R453 PolarHBondContact O-N 3.03Å; M451-R453 PolarHBondContact O-N 3Å; R453-A456 PolarHBondContact O-N 2.59Å; R453-E457 WeakPolarHBondContact CD-OE1 3.33Å; R453-E457 IonicContact CZ-OE2 2.59Å; R453-E457 IonicContact NH1-OE1 3.57Å; R453-E457 IonicContact NH1-OE2 3.94Å; R453-E457 PolarHBondContact NH1-OE2 3.47Å; R453-E457 WeakPolarHBondContact O-CG 3.48Å; R453-E457 PolarHBondContact O-N 2.73Å
454	S	97.2	Very high	93.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-45.8	-178.9	-141.1	0	0	0	0	112.3	G408 I437 K450 M451 L452 A456 E457 F458	G408-S454 PolarHBondContact O-OG 2.77Å; I437-S454 VanDerWaalsContact CD1-CB 3.42Å; I437-S454 VanDerWaalsContact CD1-OG 3.26Å; I437-S454 WeakPolarHBondContact CD1-OG 3.16Å; K450-S454 WeakPolarHBondContact O-CB 3.44Å; K450-S454 PolarHBondContact O-N 2.87Å; M451-S454 PolarHBondContact O-N 2.77Å; L452-S454 VanDerWaalsContact C-N 3.31Å; L452-S454 PolarHBondContact O-N 2.78Å; S454-A456 VanDerWaalsContact C-N 3.29Å; S454-A456 PolarHBondContact O-N 2.8Å; S454-E457 PolarHBondContact O-N 2.88Å; S454-E457 VanDerWaalsContact O-N 3.12Å; S454-F458 WeakPolarHBondContact O-CD2 3.35Å; S454-F458 PolarHBondContact O-N 3.49Å; S454-F458 VanDerWaalsContact O-N 3.1Å
455	L	96.1	Very high	93.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-39.7	172.4	-71.7	172.6	0	0	0	111.9	I386 I437 M451 L452 E457 F458 I467 L470 M471 I474	I386-L455 HydrophobicContact CD1-CD2 3.94Å; I386-L455 HydrophobicContact CG1-CD2 4.14Å; I437-L455 HydrophobicContact CG2-CD2 4.31Å; M451-L455 HydrophobicContact CG-CD1 3.97Å; M451-L455 HydrophobicContact CG-CG 4.37Å; M451-L455 WeakPolarHBondContact O-CB 3.42Å; M451-L455 WeakPolarHBondContact O-CG 3.45Å; M451-L455 PolarHBondContact O-N 2.84Å; M451-L455 HydrophobicContact SD-CD1 4.17Å; M451-L455 HydrophobicContact SD-CG 4.05Å; L452-L455 PolarHBondContact O-N 3.2Å; L455-E457 VanDerWaalsContact C-N 3.29Å; L455-E457 PolarHBondContact O-N 2.83Å; L455-F458 PolarHBondContact O-N 2.77Å; L455-I467 HydrophobicContact CB-CG2 4.26Å; L455-I467 HydrophobicContact CD2-CG2 4.45Å; L455-L470 HydrophobicContact CD1-CB 3.89Å; L455-L470 HydrophobicContact CD2-CB 4.47Å; L455-L470 HydrophobicContact CD2-CD1 4.17Å; L455-M471 HydrophobicContact CB-CG 3.86Å; L455-M471 HydrophobicContact CD1-CG 4.14Å; L455-I474 HydrophobicContact CD1-CG1 4.4Å
456	A	93.4	Very high	93.4	Very high	40 Å²	40	40.6 Å²	40.6	33%	0.331	20%	0.2	S	C	.	.	H	α-helix	trans	-72.6	-18.5	177.8	0	0	0	0	0	113.9	L452 R453 S454 R459 M471	L452-A456 VanDerWaalsContact O-CB 3.28Å; L452-A456 WeakPolarHBondContact O-CB 3.05Å; L452-A456 PolarHBondContact O-N 3.47Å; R453-A456 PolarHBondContact O-N 2.59Å; S454-A456 VanDerWaalsContact C-N 3.29Å; S454-A456 PolarHBondContact O-N 2.8Å; A456-R459 VanDerWaalsContact O-CZ 3.32Å; A456-R459 PolarHBondContact O-NH1 2.84Å; A456-R459 PolarHBondContact O-NH2 2.73Å; A456-M471 HydrophobicContact CB-CE 3.91Å
457	E	93.5	Very high	93.3	Very high	86 Å²	86	38.2 Å²	38.2	40%	0.402	19%	0.188	S	C	.	.	H	α-helix	trans	-87.6	-27.6	173.7	-79	175.4	178.3	0	0	112.7	R453 S454 L455 R459	R453-E457 WeakPolarHBondContact CD-OE1 3.33Å; R453-E457 IonicContact CZ-OE2 2.59Å; R453-E457 IonicContact NH1-OE1 3.57Å; R453-E457 IonicContact NH1-OE2 3.94Å; R453-E457 PolarHBondContact NH1-OE2 3.47Å; R453-E457 WeakPolarHBondContact O-CG 3.48Å; R453-E457 PolarHBondContact O-N 2.73Å; S454-E457 PolarHBondContact O-N 2.88Å; S454-E457 VanDerWaalsContact O-N 3.12Å; L455-E457 VanDerWaalsContact C-N 3.29Å; L455-E457 PolarHBondContact O-N 2.83Å; E457-R459 PolarHBondContact O-N 3.37Å
458	F	91.6	Very high	93.1	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.031	20%	0.2	C	C	.	.			trans	-54.8	130.2	175.4	-97	-87.6	0	0	0	111.3	I386 F405 Q406 G408 V435 I437 S454 L455 I460 I467	I386-F458 HydrophobicContact CD1-CD1 4.07Å; I386-F458 HydrophobicContact CD1-CD2 3.85Å; I386-F458 HydrophobicContact CD1-CE1 4.14Å; I386-F458 HydrophobicContact CD1-CE2 3.99Å; I386-F458 HydrophobicContact CD1-CG 3.92Å; I386-F458 HydrophobicContact CD1-CZ 4.11Å; F405-F458 HydrophobicContact CE2-CE1 4.08Å; F405-F458 HydrophobicContact CZ-CE1 4.02Å; Q406-F458 VanDerWaalsContact O-CA 3.32Å; Q406-F458 WeakPolarHBondContact O-CA 3.37Å; Q406-F458 VanDerWaalsContact O-CD1 3.28Å; Q406-F458 WeakPolarHBondContact O-CD1 3.45Å; G408-F458 VanDerWaalsContact N-CD2 3.27Å; V435-F458 HydrophobicContact CG1-CE1 3.76Å; V435-F458 HydrophobicContact CG1-CZ 3.92Å; V435-F458 HydrophobicContact CG2-CZ 4.33Å; I437-F458 HydrophobicContact CD1-CD2 4.14Å; I437-F458 HydrophobicContact CD1-CE2 3.57Å; I437-F458 HydrophobicContact CG1-CE2 4.48Å; S454-F458 WeakPolarHBondContact O-CD2 3.35Å; S454-F458 PolarHBondContact O-N 3.49Å; S454-F458 VanDerWaalsContact O-N 3.1Å; L455-F458 PolarHBondContact O-N 2.77Å; F458-I460 HydrophobicContact CD1-CD1 3.99Å; F458-I460 HydrophobicContact CD1-CG1 4.18Å; F458-I467 HydrophobicContact CB-CD1 3.8Å; F458-I467 HydrophobicContact CG-CD1 4.47Å
459	R	87.3	Confident	92.9	Very high	108 Å²	108	40 Å²	40	41%	0.408	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	106	170.3	-60.8	-69.6	174.4	-91.1	-5.5	108.3	V404 F405 Q406 A456 E457	V404-R459 HydrophobicContact CG1-CB 4.37Å; F405-R459 CarbonylContact C-O 3.39Å; F405-R459 WeakPolarHBondContact CA-O 3.45Å; Q406-R459 HydrophobicContact CB-CB 4.05Å; Q406-R459 HydrophobicContact CG-CB 4.27Å; Q406-R459 PolarHBondContact N-O 3.33Å; Q406-R459 PolarHBondContact O-N 3.29Å; A456-R459 VanDerWaalsContact O-CZ 3.32Å; A456-R459 PolarHBondContact O-NH1 2.84Å; A456-R459 PolarHBondContact O-NH2 2.73Å; E457-R459 PolarHBondContact O-N 3.37Å
460	I	88.9	Confident	92.8	Very high	15 Å²	15	33 Å²	33	8%	0.077	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.3	174.8	-54.3	-179.2	0	0	0	107.6	I386 I402 V404 F405 L434 F458 V463 T465 I467	I386-I460 HydrophobicContact CG2-CD1 3.95Å; I402-I460 HydrophobicContact CG2-CG2 4.38Å; V404-I460 VanDerWaalsContact O-CA 3.31Å; V404-I460 WeakPolarHBondContact O-CA 3.43Å; F405-I460 HydrophobicContact CD2-CD1 4.2Å; F405-I460 HydrophobicContact CD2-CG1 4.05Å; F405-I460 HydrophobicContact CE2-CD1 4.06Å; F405-I460 HydrophobicContact CE2-CG1 4.34Å; L434-I460 HydrophobicContact CD1-CD1 3.95Å; L434-I460 HydrophobicContact CD1-CG2 4.2Å; F458-I460 HydrophobicContact CD1-CD1 3.99Å; F458-I460 HydrophobicContact CD1-CG1 4.18Å; I460-V463 HydrophobicContact CG2-CG2 4.06Å; I460-T465 HydrophobicContact CB-CG2 3.93Å; I460-T465 HydrophobicContact CD1-CG2 4.13Å; I460-T465 HydrophobicContact CG2-CG2 3.84Å; I460-I467 HydrophobicContact CD1-CD1 4.26Å
461	H	85.3	Confident	92.8	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.181	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	158.6	178.1	-59.2	-32.1	0	0	0	110.5	I402 E403 V404 V463	I402-H461 CarbonylContact C-O 3.53Å; I402-H461 WeakPolarHBondContact CA-O 3.38Å; E403-H461 HydrophobicContact CB-CB 4.46Å; E403-H461 PolarHBondContact N-O 2.69Å; V404-H461 HydrophobicContact CB-CB 3.88Å; V404-H461 HydrophobicContact CG2-CB 4.05Å; V404-H461 PolarHBondContact O-N 2.8Å; H461-V463 VanDerWaalsContact C-N 3.32Å
462	G	80.9	Confident	92.6	Very high	39 Å²	39	34.2 Å²	34.2	40%	0.402	18%	0.177	S	C	.	.	S	Bend	trans	92.3	-29.7	-173.3	0	0	0	0	0	114.3	R401	R401-G462 CarbonylContact O-C 3.56Å; R401-G462 VanDerWaalsContact O-CA 3.29Å; R401-G462 WeakPolarHBondContact O-CA 3.34Å
463	V	88.6	Confident	92.6	Very high	10 Å²	10	32.1 Å²	32.1	6%	0.061	17%	0.166	C	C	.	.	S	Bend	trans	-129.9	151.6	170.6	-62.7	0	0	0	0	111.1	T388 D398 I402 L434 I460 H461	T388-V463 HydrophobicContact CG2-CB 4.29Å; T388-V463 HydrophobicContact CG2-CG2 3.96Å; D398-V463 WeakPolarHBondContact OD2-CA 3.45Å; I402-V463 HydrophobicContact CG1-CG2 4.05Å; L434-V463 HydrophobicContact CD1-CG2 4.41Å; I460-V463 HydrophobicContact CG2-CG2 4.06Å; H461-V463 VanDerWaalsContact C-N 3.32Å
464	K	90.5	Very high	92.5	Very high	103 Å²	103	28.6 Å²	28.6	45%	0.448	15%	0.152	S	C	.	.			trans	-69.3	156.4	168.9	-62.1	-59	-177.2	-176.6	0	111	T388 D390 D398	T388-K464 VanDerWaalsContact CA-O 3.29Å; T388-K464 WeakPolarHBondContact CA-O 3.28Å; D390-K464 HydrophobicContact CB-CB 3.97Å; D390-K464 HydrophobicContact CB-CG 4.33Å; D398-K464 HydrophobicContact CB-CB 4.12Å; D398-K464 PolarHBondContact OD2-N 3.08Å
465	T	92.9	Very high	92.5	Very high	22 Å²	22	34 Å²	34	14%	0.135	18%	0.176	C	C	.	.			trans	-141.3	158.9	177.5	67.7	0	0	0	0	111.3	I386 T387 E389 L434 I460 I467	I386-T465 HydrophobicContact CG2-CG2 4.47Å; T387-T465 WeakPolarHBondContact O-CA 3.37Å; T387-T465 WeakPolarHBondContact O-CB 3.44Å; E389-T465 CarbonylContact O-C 3.55Å; L434-T465 HydrophobicContact CD1-CG2 3.95Å; I460-T465 HydrophobicContact CB-CG2 3.93Å; I460-T465 HydrophobicContact CD1-CG2 4.13Å; I460-T465 HydrophobicContact CG2-CG2 3.84Å; T465-I467 PolarHBondContact O-N 3.13Å; T465-I467 WeakPolarHBondContact OG1-CG1 3.34Å
466	N	94	Very high	92.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-79.9	5.9	174.2	69.2	-17.3	0	0	0	114.1	R385 I386 T387 E389 P391 F395 F469 L470	R385-N466 PolarHBondContact O-ND2 3.15Å; I386-N466 WeakPolarHBondContact CA-OD1 3.4Å; T387-N466 PolarHBondContact N-OD1 2.96Å; T387-N466 PolarHBondContact O-N 3.13Å; T387-N466 PolarHBondContact OG1-ND2 3.4Å; E389-N466 PolarHBondContact O-N 3.23Å; P391-N466 HydrophobicContact CG-CB 4.22Å; F395-N466 HydrophobicContact CE1-CB 4.36Å; N466-F469 WeakPolarHBondContact O-CB 3.48Å; N466-F469 PolarHBondContact O-N 3.07Å; N466-F469 VanDerWaalsContact O-N 3.13Å; N466-L470 WeakPolarHBondContact O-CG 3.13Å; N466-L470 PolarHBondContact O-N 3.32Å
467	I	94.8	Very high	92.5	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.077	19%	0.191	C	C	.	.	H	α-helix	trans	-53	-48.4	-177	-66.8	172.1	0	0	0	113.1	I386 L455 F458 I460 T465 F469 L470 M471	I386-I467 HydrophobicContact CD1-CD1 4.07Å; I386-I467 HydrophobicContact CD1-CG1 4.04Å; I386-I467 HydrophobicContact CG1-CG1 4.17Å; I386-I467 HydrophobicContact CG2-CD1 3.99Å; I386-I467 HydrophobicContact CG2-CG1 3.79Å; L455-I467 HydrophobicContact CB-CG2 4.26Å; L455-I467 HydrophobicContact CD2-CG2 4.45Å; F458-I467 HydrophobicContact CB-CD1 3.8Å; F458-I467 HydrophobicContact CG-CD1 4.47Å; I460-I467 HydrophobicContact CD1-CD1 4.26Å; T465-I467 PolarHBondContact O-N 3.13Å; T465-I467 WeakPolarHBondContact OG1-CG1 3.34Å; I467-F469 VanDerWaalsContact C-N 3.26Å; I467-F469 PolarHBondContact O-N 3.34Å; I467-L470 PolarHBondContact O-N 2.74Å; I467-L470 VanDerWaalsContact O-N 3.17Å; I467-M471 HydrophobicContact CG2-CG 4.29Å; I467-M471 HydrophobicContact CG2-SD 4.06Å; I467-M471 WeakPolarHBondContact O-CG 3.48Å; I467-M471 PolarHBondContact O-N 3.42Å
468	P	93.2	Very high	92.5	Very high	39 Å²	39	37.8 Å²	37.8	25%	0.253	19%	0.187	S	C	.	.	H	α-helix	trans	-60.8	-37.3	-178.9	-23.1	35.1	0	0	0	112.4	M471 N472 L498	P468-M471 PolarHBondContact O-N 3.46Å; P468-N472 PolarHBondContact O-N 2.96Å; P468-N472 VanDerWaalsContact O-N 3.14Å; P468-L498 HydrophobicContact CB-CB 4.47Å; P468-L498 HydrophobicContact CB-CD2 4.19Å
469	F	94.8	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-46.4	174.9	174.2	-94.1	0	0	0	111.7	L281 P391 F395 N466 I467 M471 N472 V473 I489 L495 F496 L498	L281-F469 HydrophobicContact CD1-CE1 4.08Å; P391-F469 HydrophobicContact CB-CB 4.07Å; P391-F469 HydrophobicContact CG-CB 3.74Å; F395-F469 HydrophobicContact CE1-CD1 4.01Å; F395-F469 HydrophobicContact CE1-CE1 4.33Å; F395-F469 HydrophobicContact CE1-CG 4.26Å; F395-F469 AromaticContact CZ-CD1 3.75Å; F395-F469 HydrophobicContact CZ-CD1 3.75Å; F395-F469 AromaticContact CZ-CD2 3.89Å; F395-F469 HydrophobicContact CZ-CD2 3.89Å; F395-F469 AromaticContact CZ-CE1 3.86Å; F395-F469 HydrophobicContact CZ-CE1 3.86Å; F395-F469 AromaticContact CZ-CE2 3.97Å; F395-F469 HydrophobicContact CZ-CE2 3.97Å; F395-F469 AromaticContact CZ-CG 3.78Å; F395-F469 HydrophobicContact CZ-CG 3.78Å; F395-F469 AromaticContact CZ-CZ 3.97Å; F395-F469 HydrophobicContact CZ-CZ 3.97Å; N466-F469 WeakPolarHBondContact O-CB 3.48Å; N466-F469 PolarHBondContact O-N 3.07Å; N466-F469 VanDerWaalsContact O-N 3.13Å; I467-F469 VanDerWaalsContact C-N 3.26Å; I467-F469 PolarHBondContact O-N 3.34Å; F469-M471 VanDerWaalsContact C-N 3.29Å; F469-M471 PolarHBondContact O-N 2.95Å; F469-N472 WeakPolarHBondContact O-CB 3.31Å; F469-N472 PolarHBondContact O-N 3.13Å; F469-N472 VanDerWaalsContact O-N 3.1Å; F469-V473 HydrophobicContact CD1-CG2 4.28Å; F469-V473 HydrophobicContact CE1-CG2 3.73Å; F469-V473 HydrophobicContact CE2-CG2 4.43Å; F469-V473 HydrophobicContact CZ-CG2 3.81Å; F469-V473 PolarHBondContact O-N 3.48Å; F469-I489 HydrophobicContact CE1-CD1 4.2Å; F469-I489 HydrophobicContact CE2-CG2 4.3Å; F469-I489 HydrophobicContact CZ-CD1 3.88Å; F469-I489 HydrophobicContact CZ-CG1 4.2Å; F469-I489 HydrophobicContact CZ-CG2 3.81Å; F469-L495 HydrophobicContact CD2-CB 4.28Å; F469-L495 HydrophobicContact CE2-CB 3.81Å; F469-L495 HydrophobicContact CE2-CD1 4.46Å; F469-F496 HydrophobicContact CE2-CE2 4.25Å; F469-F496 HydrophobicContact CE2-CZ 4.24Å; F469-L498 HydrophobicContact CB-CD2 4.22Å
470	L	95.8	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-40.2	175.7	-66.2	171.2	0	0	0	111.7	V282 C384 I386 L455 N466 I467 N472 V473 I474	V282-L470 HydrophobicContact CG2-CD2 4.03Å; C384-L470 HydrophobicContact CB-CD1 4.1Å; C384-L470 HydrophobicContact CB-CD2 4.32Å; I386-L470 HydrophobicContact CG1-CD1 4.26Å; L455-L470 HydrophobicContact CD1-CB 3.89Å; L455-L470 HydrophobicContact CD2-CB 4.47Å; L455-L470 HydrophobicContact CD2-CD1 4.17Å; N466-L470 WeakPolarHBondContact O-CG 3.13Å; N466-L470 PolarHBondContact O-N 3.32Å; I467-L470 PolarHBondContact O-N 2.74Å; I467-L470 VanDerWaalsContact O-N 3.17Å; L470-N472 VanDerWaalsContact C-N 3.33Å; L470-N472 PolarHBondContact O-N 3.01Å; L470-V473 PolarHBondContact O-N 3.27Å; L470-I474 VanDerWaalsContact O-CG1 3.28Å; L470-I474 WeakPolarHBondContact O-CG1 3.14Å; L470-I474 PolarHBondContact O-N 2.93Å
471	M	96.2	Very high	93.2	Very high	40 Å²	40	34.9 Å²	34.9	20%	0.197	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-38.8	175.8	-68.9	178.2	69	0	0	112.3	L452 L455 A456 I467 P468 F469 K475	L452-M471 HydrophobicContact CD1-CB 3.98Å; L452-M471 HydrophobicContact CD1-CE 3.71Å; L452-M471 HydrophobicContact CD1-CG 3.96Å; L455-M471 HydrophobicContact CB-CG 3.86Å; L455-M471 HydrophobicContact CD1-CG 4.14Å; A456-M471 HydrophobicContact CB-CE 3.91Å; I467-M471 HydrophobicContact CG2-CG 4.29Å; I467-M471 HydrophobicContact CG2-SD 4.06Å; I467-M471 WeakPolarHBondContact O-CG 3.48Å; I467-M471 PolarHBondContact O-N 3.42Å; P468-M471 PolarHBondContact O-N 3.46Å; F469-M471 VanDerWaalsContact C-N 3.29Å; F469-M471 PolarHBondContact O-N 2.95Å; M471-K475 WeakPolarHBondContact O-CB 3.26Å; M471-K475 VanDerWaalsContact O-CG 3.24Å; M471-K475 WeakPolarHBondContact O-CG 3.45Å; M471-K475 PolarHBondContact O-N 3.42Å; M471-K475 VanDerWaalsContact O-N 3.16Å
472	N	95.5	Very high	93.4	Very high	32 Å²	32	33 Å²	33	17%	0.171	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-45	175.4	-72.9	-6.8	0	0	0	110.9	P468 F469 L470 I474 K475 H476 L495 D497	P468-N472 PolarHBondContact O-N 2.96Å; P468-N472 VanDerWaalsContact O-N 3.14Å; F469-N472 WeakPolarHBondContact O-CB 3.31Å; F469-N472 PolarHBondContact O-N 3.13Å; F469-N472 VanDerWaalsContact O-N 3.1Å; L470-N472 VanDerWaalsContact C-N 3.33Å; L470-N472 PolarHBondContact O-N 3.01Å; N472-I474 PolarHBondContact O-N 3.39Å; N472-K475 PolarHBondContact O-N 3.46Å; N472-H476 PolarHBondContact O-N 3.4Å; N472-L495 HydrophobicContact CB-CD2 4.02Å; N472-L495 PolarHBondContact ND2-O 3.25Å; N472-D497 PolarHBondContact ND2-O 2.81Å; N472-D497 VanDerWaalsContact ND2-O 3.11Å
473	V	95.9	Very high	93.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-51.3	175.2	167.5	0	0	0	0	111.8	V274 V282 F469 L470 K475 H476 F479 F488 L495	V274-V473 HydrophobicContact CG1-CG1 3.95Å; V282-V473 HydrophobicContact CG2-CG1 4.11Å; F469-V473 HydrophobicContact CD1-CG2 4.28Å; F469-V473 HydrophobicContact CE1-CG2 3.73Å; F469-V473 HydrophobicContact CE2-CG2 4.43Å; F469-V473 HydrophobicContact CZ-CG2 3.81Å; F469-V473 PolarHBondContact O-N 3.48Å; L470-V473 PolarHBondContact O-N 3.27Å; V473-K475 VanDerWaalsContact C-N 3.26Å; V473-K475 PolarHBondContact O-N 3.29Å; V473-H476 WeakPolarHBondContact O-CB 3.23Å; V473-H476 PolarHBondContact O-N 3.13Å; V473-F479 HydrophobicContact CG1-CD2 4.17Å; V473-F479 VanDerWaalsContact O-CB 3.28Å; V473-F479 WeakPolarHBondContact O-CB 3.41Å; V473-F488 HydrophobicContact CG1-CE1 4.15Å; V473-F488 HydrophobicContact CG2-CE1 4.45Å; V473-L495 HydrophobicContact CG2-CD1 4.15Å; V473-L495 HydrophobicContact CG2-CD2 4.36Å
474	I	96.8	Very high	93.8	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-26.9	-176.9	-63	-60.3	0	0	0	112.6	V282 I382 A448 M451 L452 L455 L470 N472 F479 L480	V282-I474 HydrophobicContact CG1-CD1 4.21Å; I382-I474 HydrophobicContact CG2-CD1 4.19Å; A448-I474 HydrophobicContact CB-CG2 3.95Å; A448-I474 WeakPolarHBondContact O-CG2 3.42Å; M451-I474 HydrophobicContact CG-CD1 4.12Å; M451-I474 HydrophobicContact CG-CG1 4.02Å; L452-I474 HydrophobicContact CB-CG2 4.19Å; L455-I474 HydrophobicContact CD1-CG1 4.4Å; L470-I474 VanDerWaalsContact O-CG1 3.28Å; L470-I474 WeakPolarHBondContact O-CG1 3.14Å; L470-I474 PolarHBondContact O-N 2.93Å; N472-I474 PolarHBondContact O-N 3.39Å; I474-F479 HydrophobicContact CD1-CD1 4.26Å; I474-F479 HydrophobicContact CD1-CE1 3.47Å; I474-F479 VanDerWaalsContact CD1-CE1 3.47Å; I474-F479 HydrophobicContact CD1-CE2 4.14Å; I474-F479 HydrophobicContact CD1-CZ 3.4Å; I474-F479 VanDerWaalsContact CD1-CZ 3.4Å; I474-F479 HydrophobicContact CG2-CE1 4.46Å; I474-L480 WeakPolarHBondContact O-CD2 3.46Å
475	K	95.8	Very high	93.9	Very high	113 Å²	113	30.8 Å²	30.8	49%	0.491	16%	0.156	S	C	.	.	H	α-helix	trans	-82	-19.2	177.1	-74.1	174.9	-173.9	178.4	0	113.6	L452 M471 N472 V473	L452-K475 HydrophobicContact CD1-CD 4.42Å; L452-K475 HydrophobicContact CD1-CG 4.14Å; L452-K475 HydrophobicContact CD2-CG 3.93Å; M471-K475 WeakPolarHBondContact O-CB 3.26Å; M471-K475 VanDerWaalsContact O-CG 3.24Å; M471-K475 WeakPolarHBondContact O-CG 3.45Å; M471-K475 PolarHBondContact O-N 3.42Å; M471-K475 VanDerWaalsContact O-N 3.16Å; N472-K475 PolarHBondContact O-N 3.46Å; V473-K475 VanDerWaalsContact C-N 3.26Å; V473-K475 PolarHBondContact O-N 3.29Å
476	H	96	Very high	93.8	Very high	35 Å²	35	30.5 Å²	30.5	16%	0.162	16%	0.155	C	C	.	.			trans	-68.1	137.2	-171.5	-164.7	-86.9	0	0	0	111.8	N472 V473 Q478 F479 L480 F488 H492 L495	N472-H476 PolarHBondContact O-N 3.4Å; V473-H476 WeakPolarHBondContact O-CB 3.23Å; V473-H476 PolarHBondContact O-N 3.13Å; H476-Q478 VanDerWaalsContact C-N 3.34Å; H476-Q478 PolarHBondContact ND1-N 2.68Å; H476-Q478 PolarHBondContact O-N 2.86Å; H476-F479 HydrophobicContact CB-CB 4.44Å; H476-F479 WeakPolarHBondContact O-CB 3.23Å; H476-F479 PolarHBondContact O-N 3.41Å; H476-F479 VanDerWaalsContact O-N 3.07Å; H476-L480 PolarHBondContact O-N 2.88Å; H476-F488 HydrophobicContact CB-CE2 4.44Å; H476-F488 HydrophobicContact CB-CZ 3.87Å; H476-F488 AromaticContact CE1-CE2 3.79Å; H476-F488 AromaticContact CG-CE2 3.88Å; H476-F488 AromaticContact CG-CZ 3.76Å; H476-F488 AromaticContact ND1-CE2 3.37Å; H476-F488 WeakPolarHBondContact ND1-CE2 3.34Å; H476-F488 AromaticContact ND1-CZ 3.71Å; H476-H492 AromaticContact CE1-CD2 3.32Å; H476-H492 PolarHBondContact CE1-CD2 3.22Å; H476-H492 AromaticContact CE1-NE2 3.34Å; H476-H492 PolarHBondContact CE1-NE2 2.91Å; H476-H492 VanDerWaalsContact CE1-NE2 3.34Å; H476-H492 AromaticContact NE2-CD2 3.13Å; H476-H492 PolarHBondContact NE2-CD2 2.82Å; H476-H492 AromaticContact NE2-CG 3.99Å; H476-H492 AromaticContact NE2-NE2 3.66Å; H476-L495 HydrophobicContact CB-CD2 4.38Å
477	E	94.4	Very high	93.6	Very high	107 Å²	107	32.3 Å²	32.3	50%	0.5	16%	0.164	S	C	.	.	H	α-helix	trans	-68	-31.9	-172.1	-169.7	58	-153.5	0	0	112.8	R445 F479 L480 S481	R445-E477 IonicContact CZ-OE1 2.67Å; R445-E477 IonicContact NH1-OE1 3.6Å; R445-E477 PolarHBondContact NH1-OE1 3.11Å; R445-E477 IonicContact NH1-OE2 3.38Å; R445-E477 IonicContact NH2-OE1 3.57Å; R445-E477 PolarHBondContact NH2-OE1 3.48Å; E477-F479 VanDerWaalsContact C-N 3.32Å; E477-F479 PolarHBondContact O-N 2.96Å; E477-L480 PolarHBondContact O-N 3.34Å; E477-S481 WeakPolarHBondContact O-CB 3.4Å; E477-S481 PolarHBondContact O-N 2.92Å; E477-S481 PolarHBondContact O-OG 2.8Å
478	Q	93	Very high	93.5	Very high	66 Å²	66	31.7 Å²	31.7	31%	0.308	16%	0.161	S	C	.	.	H	α-helix	trans	-63.4	-37	172	-69.3	-170	-7.4	0	0	112.5	H476 S481 G482 I483 F488 H492	H476-Q478 VanDerWaalsContact C-N 3.34Å; H476-Q478 PolarHBondContact ND1-N 2.68Å; H476-Q478 PolarHBondContact O-N 2.86Å; Q478-S481 WeakPolarHBondContact CA-OG 3.48Å; Q478-S481 PolarHBondContact O-OG 3.37Å; Q478-G482 PolarHBondContact O-N 3.32Å; Q478-I483 HydrophobicContact CB-CG1 4.29Å; Q478-I483 HydrophobicContact CG-CD1 4.42Å; Q478-I483 HydrophobicContact CG-CG1 4.46Å; Q478-I483 PolarHBondContact O-N 3.02Å; Q478-F488 HydrophobicContact CB-CD2 4.31Å; Q478-F488 HydrophobicContact CB-CE2 4.04Å; Q478-H492 PolarHBondContact OE1-CE1 3.46Å; Q478-H492 PolarHBondContact OE1-NE2 3.28Å
479	F	95.3	Very high	93.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-49.9	173	179.6	-93.2	0	0	0	110.2	V274 V282 I284 I382 F444 A448 V473 I474 H476 E477 S481 G482 V484	V274-F479 HydrophobicContact CG2-CD2 4Å; V274-F479 HydrophobicContact CG2-CE2 4.12Å; V282-F479 HydrophobicContact CG1-CE2 3.78Å; V282-F479 HydrophobicContact CG1-CZ 4Å; I284-F479 HydrophobicContact CD1-CE2 3.72Å; I284-F479 HydrophobicContact CD1-CZ 3.97Å; I284-F479 HydrophobicContact CG1-CE2 4.3Å; I284-F479 HydrophobicContact CG1-CZ 4.31Å; I382-F479 HydrophobicContact CD1-CE1 4.24Å; I382-F479 HydrophobicContact CD1-CZ 4.19Å; I382-F479 HydrophobicContact CG2-CZ 4.24Å; F444-F479 WeakPolarHBondContact CE1-O 3.22Å; F444-F479 HydrophobicContact CE2-CE1 4.23Å; F444-F479 HydrophobicContact CE2-CZ 4.21Å; F444-F479 HydrophobicContact CZ-CD1 4.15Å; F444-F479 AromaticContact CZ-CE1 3.7Å; F444-F479 HydrophobicContact CZ-CE1 3.7Å; F444-F479 AromaticContact CZ-CZ 3.91Å; F444-F479 HydrophobicContact CZ-CZ 3.91Å; F444-F479 WeakPolarHBondContact CZ-O 3.29Å; A448-F479 HydrophobicContact CB-CE1 4.34Å; V473-F479 HydrophobicContact CG1-CD2 4.17Å; V473-F479 VanDerWaalsContact O-CB 3.28Å; V473-F479 WeakPolarHBondContact O-CB 3.41Å; I474-F479 HydrophobicContact CD1-CD1 4.26Å; I474-F479 HydrophobicContact CD1-CE1 3.47Å; I474-F479 VanDerWaalsContact CD1-CE1 3.47Å; I474-F479 HydrophobicContact CD1-CE2 4.14Å; I474-F479 HydrophobicContact CD1-CZ 3.4Å; I474-F479 VanDerWaalsContact CD1-CZ 3.4Å; I474-F479 HydrophobicContact CG2-CE1 4.46Å; H476-F479 HydrophobicContact CB-CB 4.44Å; H476-F479 WeakPolarHBondContact O-CB 3.23Å; H476-F479 PolarHBondContact O-N 3.41Å; H476-F479 VanDerWaalsContact O-N 3.07Å; E477-F479 VanDerWaalsContact C-N 3.32Å; E477-F479 PolarHBondContact O-N 2.96Å; F479-S481 VanDerWaalsContact C-N 3.27Å; F479-S481 PolarHBondContact O-N 2.83Å; F479-G482 PolarHBondContact O-N 2.72Å; F479-V484 HydrophobicContact CB-CG1 4.28Å; F479-V484 HydrophobicContact CD2-CG1 4.49Å
480	L	95	Very high	93	Very high	31 Å²	31	35 Å²	35	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-23.9	-177.5	-67.3	174.5	0	0	0	114.7	A448 I474 H476 E477	A448-L480 HydrophobicContact CB-CD2 3.69Å; I474-L480 WeakPolarHBondContact O-CD2 3.46Å; H476-L480 PolarHBondContact O-N 2.88Å; E477-L480 PolarHBondContact O-N 3.34Å
481	S	91.9	Very high	92.7	Very high	37 Å²	37	38.9 Å²	38.9	26%	0.259	20%	0.195	S	C	.	.	H	α-helix	trans	-87.6	-10.4	174.5	49.9	0	0	0	0	113.6	S289 E477 Q478 F479 I483	S289-S481 PolarHBondContact OG-O 3.38Å; E477-S481 WeakPolarHBondContact O-CB 3.4Å; E477-S481 PolarHBondContact O-N 2.92Å; E477-S481 PolarHBondContact O-OG 2.8Å; Q478-S481 WeakPolarHBondContact CA-OG 3.48Å; Q478-S481 PolarHBondContact O-OG 3.37Å; F479-S481 VanDerWaalsContact C-N 3.27Å; F479-S481 PolarHBondContact O-N 2.83Å; S481-I483 VanDerWaalsContact C-N 3.32Å; S481-I483 WeakPolarHBondContact OG-CG1 3.4Å
482	G	89.4	Confident	92.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	19.9	177.5	0	0	0	0	0	114.6	Q478 F479	Q478-G482 PolarHBondContact O-N 3.32Å; F479-G482 PolarHBondContact O-N 2.72Å
483	I	86.9	Confident	92.3	Very high	85 Å²	85	41.3 Å²	41.3	44%	0.436	21%	0.213	S	C	.	.			trans	-101.4	23	-178.8	65.7	-178.5	0	0	0	112.7	Q478 S481	Q478-I483 HydrophobicContact CB-CG1 4.29Å; Q478-I483 HydrophobicContact CG-CD1 4.42Å; Q478-I483 HydrophobicContact CG-CG1 4.46Å; Q478-I483 PolarHBondContact O-N 3.02Å; S481-I483 VanDerWaalsContact C-N 3.32Å; S481-I483 WeakPolarHBondContact OG-CG1 3.4Å
484	V	91.8	Very high	92	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.			trans	-71.8	145	179.7	-68.4	0	0	0	0	111.5	R250 V274 F479 F488	R250-V484 WeakPolarHBondContact CG-O 3.47Å; V274-V484 HydrophobicContact CG2-CB 4.39Å; V274-V484 HydrophobicContact CG2-CG2 4.06Å; F479-V484 HydrophobicContact CB-CG1 4.28Å; F479-V484 HydrophobicContact CD2-CG1 4.49Å; V484-F488 HydrophobicContact CB-CB 4.38Å; V484-F488 HydrophobicContact CB-CG 4.41Å; V484-F488 HydrophobicContact CG1-CB 4.46Å; V484-F488 HydrophobicContact CG1-CD1 4.17Å; V484-F488 HydrophobicContact CG1-CD2 4.17Å; V484-F488 HydrophobicContact CG1-CG 3.97Å
485	D	92.3	Very high	91.8	Very high	20 Å²	20	45.3 Å²	45.3	11%	0.107	24%	0.235	C	C	.	.			trans	-125.5	178.4	170.3	66.1	38.8	0	0	0	110.4	R248 N487 F488	R248-D485 HydrophobicContact CB-CB 4.43Å; R248-D485 WeakPolarHBondContact CB-OD2 3.39Å; D485-N487 PolarHBondContact O-N 2.76Å; D485-N487 VanDerWaalsContact O-N 3.13Å; D485-N487 WeakPolarHBondContact OD1-CA 3.19Å; D485-N487 WeakPolarHBondContact OD1-CB 3.37Å; D485-N487 PolarHBondContact OD1-N 3.31Å; D485-F488 VanDerWaalsContact O-CB 3.28Å; D485-F488 WeakPolarHBondContact O-CB 3.47Å; D485-F488 PolarHBondContact O-N 3.35Å; D485-F488 VanDerWaalsContact O-N 3.14Å; D485-F488 PolarHBondContact OD1-N 3.32Å
486	T	91	Very high	91.4	Very high	17 Å²	17	43.9 Å²	43.9	10%	0.104	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.9	-178	56.3	0	0	0	0	115.3	P249 H251 S273	P249-T486 WeakPolarHBondContact CD-OG1 3.25Å; P249-T486 HydrophobicContact CG-CG2 4.23Å; P249-T486 WeakPolarHBondContact CG-OG1 3.33Å; P249-T486 WeakPolarHBondContact O-CG2 3.21Å; P249-T486 PolarHBondContact O-N 2.81Å; P249-T486 PolarHBondContact O-OG1 2.9Å; H251-T486 HydrophobicContact CB-CG2 4.13Å; S273-T486 WeakPolarHBondContact O-CA 3.41Å
487	N	89.5	Confident	91	Very high	38 Å²	38	48.4 Å²	48.4	20%	0.203	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-4.5	178.2	-59.1	-22.8	0	0	0	112.5	E247 D485 I489 D490 E491	E247-N487 PolarHBondContact O-ND2 2.78Å; D485-N487 PolarHBondContact O-N 2.76Å; D485-N487 VanDerWaalsContact O-N 3.13Å; D485-N487 WeakPolarHBondContact OD1-CA 3.19Å; D485-N487 WeakPolarHBondContact OD1-CB 3.37Å; D485-N487 PolarHBondContact OD1-N 3.31Å; N487-I489 VanDerWaalsContact C-N 3.3Å; N487-I489 PolarHBondContact O-N 2.99Å; N487-I489 VanDerWaalsContact O-N 3.13Å; N487-D490 PolarHBondContact O-N 2.95Å; N487-E491 HydrophobicContact CB-CG 4.16Å; N487-E491 PolarHBondContact O-N 2.96Å
488	F	92.9	Very high	90.5	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-46.6	-48	-175	169.4	-114.5	0	0	0	113.6	V274 V473 H476 Q478 V484 D485 H492 L495	V274-F488 HydrophobicContact CG1-CD1 4.39Å; V473-F488 HydrophobicContact CG1-CE1 4.15Å; V473-F488 HydrophobicContact CG2-CE1 4.45Å; H476-F488 HydrophobicContact CB-CE2 4.44Å; H476-F488 HydrophobicContact CB-CZ 3.87Å; H476-F488 AromaticContact CE1-CE2 3.79Å; H476-F488 AromaticContact CG-CE2 3.88Å; H476-F488 AromaticContact CG-CZ 3.76Å; H476-F488 AromaticContact ND1-CE2 3.37Å; H476-F488 WeakPolarHBondContact ND1-CE2 3.34Å; H476-F488 AromaticContact ND1-CZ 3.71Å; Q478-F488 HydrophobicContact CB-CD2 4.31Å; Q478-F488 HydrophobicContact CB-CE2 4.04Å; V484-F488 HydrophobicContact CB-CB 4.38Å; V484-F488 HydrophobicContact CB-CG 4.41Å; V484-F488 HydrophobicContact CG1-CB 4.46Å; V484-F488 HydrophobicContact CG1-CD1 4.17Å; V484-F488 HydrophobicContact CG1-CD2 4.17Å; V484-F488 HydrophobicContact CG1-CG 3.97Å; D485-F488 VanDerWaalsContact O-CB 3.28Å; D485-F488 WeakPolarHBondContact O-CB 3.47Å; D485-F488 PolarHBondContact O-N 3.35Å; D485-F488 VanDerWaalsContact O-N 3.14Å; D485-F488 PolarHBondContact OD1-N 3.32Å; F488-H492 AromaticContact CD2-CE1 3.75Å; F488-H492 AromaticContact CD2-ND1 3.54Å; F488-H492 AromaticContact CE2-CE1 3.92Å; F488-H492 AromaticContact CE2-ND1 3.69Å; F488-H492 PolarHBondContact O-N 3.01Å; F488-H492 PolarHBondContact O-ND1 2.8Å; F488-L495 HydrophobicContact CE1-CD1 4.04Å; F488-L495 HydrophobicContact CZ-CD1 4.02Å; F488-L495 HydrophobicContact CZ-CD2 4.47Å
489	I	91.2	Very high	89.5	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-38.1	-178.8	-64.6	178.7	0	0	0	111.8	V274 Q275 R276 L281 F469 N487 E491 H492 L495 F496	V274-I489 HydrophobicContact CG1-CD1 3.95Å; V274-I489 HydrophobicContact CG1-CG1 4.38Å; Q275-I489 WeakPolarHBondContact O-CD1 3.27Å; R276-I489 HydrophobicContact CB-CD1 4.22Å; R276-I489 HydrophobicContact CB-CG2 4.47Å; R276-I489 HydrophobicContact CG-CG2 4.47Å; L281-I489 HydrophobicContact CD1-CD1 3.54Å; F469-I489 HydrophobicContact CE1-CD1 4.2Å; F469-I489 HydrophobicContact CE2-CG2 4.3Å; F469-I489 HydrophobicContact CZ-CD1 3.88Å; F469-I489 HydrophobicContact CZ-CG1 4.2Å; F469-I489 HydrophobicContact CZ-CG2 3.81Å; N487-I489 VanDerWaalsContact C-N 3.3Å; N487-I489 PolarHBondContact O-N 2.99Å; N487-I489 VanDerWaalsContact O-N 3.13Å; I489-E491 VanDerWaalsContact C-N 3.33Å; I489-H492 PolarHBondContact O-N 3.27Å; I489-L495 HydrophobicContact CG1-CD1 4.45Å; I489-F496 HydrophobicContact CG2-CE2 4.38Å; I489-F496 HydrophobicContact CG2-CZ 4.38Å
490	D	86.6	Confident	88.1	Confident	107 Å²	107	52.1 Å²	52.1	57%	0.572	29%	0.291	S	S	*	.	H	α-helix	trans	-72.4	-27.7	-177.9	-67.9	-23.9	0	0	0	111.8	N487	N487-D490 PolarHBondContact O-N 2.95Å
491	E	90.5	Very high	86.8	Confident	82 Å²	82	54.2 Å²	54.2	38%	0.383	31%	0.312	S	S	.	.	H	α-helix	trans	-84.4	-11.3	177.5	-67.7	-173.1	173.3	0	0	114.2	R248 N487 I489 P493	R248-E491 IonicContact CZ-OE1 3.04Å; R248-E491 IonicContact NE-OE1 3.84Å; R248-E491 IonicContact NH2-OE1 3Å; R248-E491 PolarHBondContact NH2-OE1 2.78Å; R248-E491 IonicContact NH2-OE2 2.85Å; R248-E491 PolarHBondContact NH2-OE2 2.85Å; N487-E491 HydrophobicContact CB-CG 4.16Å; N487-E491 PolarHBondContact O-N 2.96Å; I489-E491 VanDerWaalsContact C-N 3.33Å; E491-P493 VanDerWaalsContact O-CD 3.3Å; E491-P493 WeakPolarHBondContact O-CD 3.29Å
492	H	91.8	Very high	85.7	Confident	24 Å²	24	59.4 Å²	59.4	11%	0.111	33%	0.33	C	S	.	.			trans	-121.9	76.2	-174.8	-64	81.6	0	0	0	112.1	H476 Q478 F488 I489 D494 L495	H476-H492 AromaticContact CE1-CD2 3.32Å; H476-H492 PolarHBondContact CE1-CD2 3.22Å; H476-H492 AromaticContact CE1-NE2 3.34Å; H476-H492 PolarHBondContact CE1-NE2 2.91Å; H476-H492 VanDerWaalsContact CE1-NE2 3.34Å; H476-H492 AromaticContact NE2-CD2 3.13Å; H476-H492 PolarHBondContact NE2-CD2 2.82Å; H476-H492 AromaticContact NE2-CG 3.99Å; H476-H492 AromaticContact NE2-NE2 3.66Å; Q478-H492 PolarHBondContact OE1-CE1 3.46Å; Q478-H492 PolarHBondContact OE1-NE2 3.28Å; F488-H492 AromaticContact CD2-CE1 3.75Å; F488-H492 AromaticContact CD2-ND1 3.54Å; F488-H492 AromaticContact CE2-CE1 3.92Å; F488-H492 AromaticContact CE2-ND1 3.69Å; F488-H492 PolarHBondContact O-N 3.01Å; F488-H492 PolarHBondContact O-ND1 2.8Å; I489-H492 PolarHBondContact O-N 3.27Å; H492-D494 VanDerWaalsContact C-OD1 3.24Å; H492-D494 WeakPolarHBondContact CA-OD1 3.4Å; H492-D494 WeakPolarHBondContact CB-OD1 3.32Å; H492-D494 PolarHBondContact O-N 3.26Å; H492-L495 HydrophobicContact CB-CD1 3.78Å; H492-L495 HydrophobicContact CB-CG 3.8Å; H492-L495 WeakPolarHBondContact O-CB 3.3Å; H492-L495 VanDerWaalsContact O-CG 3.31Å; H492-L495 WeakPolarHBondContact O-CG 3.25Å; H492-L495 PolarHBondContact O-N 2.78Å; H492-L495 VanDerWaalsContact O-N 3.13Å
493	P	89.8	Confident	85.2	Confident	98 Å²	98	63 Å²	63	64%	0.636	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-65.1	-19	179.5	27.2	-35.1	0	0	0	113.5	E491 L495 F496	E491-P493 VanDerWaalsContact O-CD 3.3Å; E491-P493 WeakPolarHBondContact O-CD 3.29Å; P493-L495 PolarHBondContact O-N 2.96Å; P493-F496 WeakPolarHBondContact O-CB 3.32Å; P493-F496 WeakPolarHBondContact O-CD2 3.46Å; P493-F496 PolarHBondContact O-N 3.28Å; P493-F496 VanDerWaalsContact O-N 3.12Å
494	D	90.8	Very high	85.1	Confident	87 Å²	87	62.1 Å²	62.1	47%	0.465	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-62.9	-23.3	172.9	60.7	-60.9	0	0	0	112.9	H492 F496 D497	H492-D494 VanDerWaalsContact C-OD1 3.24Å; H492-D494 WeakPolarHBondContact CA-OD1 3.4Å; H492-D494 WeakPolarHBondContact CB-OD1 3.32Å; H492-D494 PolarHBondContact O-N 3.26Å; D494-F496 PolarHBondContact O-N 2.86Å; D494-D497 WeakPolarHBondContact O-CB 3.48Å; D494-D497 PolarHBondContact O-N 2.79Å
495	L	91.4	Very high	84.8	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.01	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-59	-20.5	172.1	-62.8	176	0	0	0	112.8	F469 N472 V473 H476 F488 I489 H492 P493	F469-L495 HydrophobicContact CD2-CB 4.28Å; F469-L495 HydrophobicContact CE2-CB 3.81Å; F469-L495 HydrophobicContact CE2-CD1 4.46Å; N472-L495 HydrophobicContact CB-CD2 4.02Å; N472-L495 PolarHBondContact ND2-O 3.25Å; V473-L495 HydrophobicContact CG2-CD1 4.15Å; V473-L495 HydrophobicContact CG2-CD2 4.36Å; H476-L495 HydrophobicContact CB-CD2 4.38Å; F488-L495 HydrophobicContact CE1-CD1 4.04Å; F488-L495 HydrophobicContact CZ-CD1 4.02Å; F488-L495 HydrophobicContact CZ-CD2 4.47Å; I489-L495 HydrophobicContact CG1-CD1 4.45Å; H492-L495 HydrophobicContact CB-CD1 3.78Å; H492-L495 HydrophobicContact CB-CG 3.8Å; H492-L495 WeakPolarHBondContact O-CB 3.3Å; H492-L495 VanDerWaalsContact O-CG 3.31Å; H492-L495 WeakPolarHBondContact O-CG 3.25Å; H492-L495 PolarHBondContact O-N 2.78Å; H492-L495 VanDerWaalsContact O-N 3.13Å; P493-L495 PolarHBondContact O-N 2.96Å
496	F	89	Confident	84.5	Confident	82 Å²	82	63 Å²	63	36%	0.36	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-92	3	178.7	-61.3	-102.5	0	0	0	113.7	F395 F469 I489 P493 D494 L498	F395-F496 HydrophobicContact CD2-CE1 4.41Å; F395-F496 AromaticContact CE2-CE1 3.59Å; F395-F496 HydrophobicContact CE2-CE1 3.59Å; F395-F496 HydrophobicContact CE2-CZ 4.1Å; F395-F496 HydrophobicContact CZ-CE1 4.44Å; F469-F496 HydrophobicContact CE2-CE2 4.25Å; F469-F496 HydrophobicContact CE2-CZ 4.24Å; I489-F496 HydrophobicContact CG2-CE2 4.38Å; I489-F496 HydrophobicContact CG2-CZ 4.38Å; P493-F496 WeakPolarHBondContact O-CB 3.32Å; P493-F496 WeakPolarHBondContact O-CD2 3.46Å; P493-F496 PolarHBondContact O-N 3.28Å; P493-F496 VanDerWaalsContact O-N 3.12Å; D494-F496 PolarHBondContact O-N 2.86Å; F496-L498 WeakPolarHBondContact O-CG 3.37Å; F496-L498 PolarHBondContact O-N 3.42Å
497	D	86.3	Confident	84.5	Confident	131 Å²	131	64.7 Å²	64.7	70%	0.701	35%	0.351	S	S	*	.			trans	-76.8	89.5	167.5	-170.1	14.1	0	0	0	109.6	N472 D494	N472-D497 PolarHBondContact ND2-O 2.81Å; N472-D497 VanDerWaalsContact ND2-O 3.11Å; D494-D497 WeakPolarHBondContact O-CB 3.48Å; D494-D497 PolarHBondContact O-N 2.79Å
498	L	83.5	Confident	84.7	Confident	39 Å²	39	62.9 Å²	62.9	20%	0.204	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-94.5	119	-173.4	-48.4	175.9	0	0	0	110.2	P391 A392 P468 F469 F496	P391-L498 HydrophobicContact CB-CD1 3.78Å; P391-L498 HydrophobicContact CG-CD1 4.19Å; A392-L498 HydrophobicContact CB-CD1 4.19Å; P468-L498 HydrophobicContact CB-CB 4.47Å; P468-L498 HydrophobicContact CB-CD2 4.19Å; F469-L498 HydrophobicContact CB-CD2 4.22Å; F496-L498 WeakPolarHBondContact O-CG 3.37Å; F496-L498 PolarHBondContact O-N 3.42Å
499	P	72.4	Confident	84.8	Confident	91 Å²	91	62.9 Å²	62.9	59%	0.591	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-64.5	133.5	176.6	25.3	-33	0	0	0	110.6	A501	P499-A501 PolarHBondContact O-N 2.82Å
500	P	66.9	Low	84.9	Confident	121 Å²	121	68.3 Å²	68.3	79%	0.786	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-67.1	131.5	-178.9	25.5	-33	0	0	0	111.2	K502	P500-K502 PolarHBondContact O-N 2.92Å
501	A	66.4	Low	85.3	Confident	74 Å²	74	63.2 Å²	63.2	61%	0.612	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-68	117.9	175	0	0	0	0	0	110.5	P499 Q503	P499-A501 PolarHBondContact O-N 2.82Å; A501-Q503 HydrophobicContact CB-CG 4.01Å; A501-Q503 PolarHBondContact O-N 2.56Å
502	K	70	Confident	85.6	Confident	147 Å²	147	59.3 Å²	59.3	64%	0.639	32%	0.316	S	S	*	.			trans	-67.1	-34.3	-178.1	-64.6	-174.2	178.5	-177.3	0	113.4	P500 R504 K507	P500-K502 PolarHBondContact O-N 2.92Å; K502-R504 HydrophobicContact CB-CG 4.15Å; K502-R504 PolarHBondContact O-N 2.97Å; K502-K507 WeakPolarHBondContact O-CE 3.33Å
503	Q	77.4	Confident	85.7	Confident	76 Å²	76	58.2 Å²	58.2	36%	0.355	31%	0.311	S	S	.	.			trans	41.8	34.7	178.2	-63.5	-175.2	-3.5	0	0	115.8	A501 A505 Q506 K507	A501-Q503 HydrophobicContact CB-CG 4.01Å; A501-Q503 PolarHBondContact O-N 2.56Å; Q503-A505 PolarHBondContact O-N 3.25Å; Q503-Q506 HydrophobicContact CB-CB 4.41Å; Q503-Q506 PolarHBondContact O-N 2.67Å; Q503-Q506 VanDerWaalsContact O-N 3.16Å; Q503-K507 WeakPolarHBondContact O-CG 3.48Å; Q503-K507 PolarHBondContact O-N 2.81Å
504	R	84.8	Confident	86	Confident	66 Å²	66	54.1 Å²	54.1	25%	0.249	28%	0.284	C	S	.	.	H	α-helix	trans	-56.8	-44.7	-169.2	-63.3	179.2	-71.5	-165	-1.4	113.8	K502 Q506 K507 L508 P1038 L1061 E1062	K502-R504 HydrophobicContact CB-CG 4.15Å; K502-R504 PolarHBondContact O-N 2.97Å; R504-Q506 PolarHBondContact O-N 3.34Å; R504-K507 PolarHBondContact O-N 3.12Å; R504-L508 WeakPolarHBondContact O-CG 3.48Å; R504-L508 PolarHBondContact O-N 3.37Å; R504-P1038 HydrophobicContact CB-CG 4.43Å; R504-L1061 HydrophobicContact CB-CD1 3.99Å; R504-L1061 HydrophobicContact CB-CD2 4.11Å; R504-E1062 IonicContact CZ-OE1 2.73Å; R504-E1062 IonicContact CZ-OE2 2.76Å; R504-E1062 VanDerWaalsContact NH1-CD 3.29Å; R504-E1062 IonicContact NH1-OE1 3.35Å; R504-E1062 PolarHBondContact NH1-OE1 3.17Å; R504-E1062 IonicContact NH1-OE2 3.57Å; R504-E1062 IonicContact NH2-OE1 3.87Å; R504-E1062 PolarHBondContact NH2-OE1 2.89Å; R504-E1062 IonicContact NH2-OE2 3.07Å; R504-E1062 PolarHBondContact NH2-OE2 2.9Å
505	A	86.7	Confident	86.2	Confident	21 Å²	21	50.2 Å²	50.2	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-44.6	179.3	0	0	0	0	0	112.2	Q503 K507 L508 L509 L1067 M1089	Q503-A505 PolarHBondContact O-N 3.25Å; A505-K507 VanDerWaalsContact C-N 3.32Å; A505-K507 PolarHBondContact O-N 2.65Å; A505-L508 PolarHBondContact O-N 3.46Å; A505-L509 WeakPolarHBondContact O-CG 3.37Å; A505-L509 PolarHBondContact O-N 2.85Å; A505-L1067 HydrophobicContact CB-CD1 3.74Å; A505-L1067 HydrophobicContact CB-CD2 4.29Å; A505-M1089 HydrophobicContact CB-CE 4.19Å; A505-M1089 HydrophobicContact CB-SD 3.77Å
506	Q	86.2	Confident	86.3	Confident	18 Å²	18	52.4 Å²	52.4	8%	0.084	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-39	176.7	-168.7	67.3	4.5	0	0	111.7	E403 Q503 R504 L509 R510 I1096	E403-Q506 PolarHBondContact OE2-NE2 2.73Å; Q503-Q506 HydrophobicContact CB-CB 4.41Å; Q503-Q506 PolarHBondContact O-N 2.67Å; Q503-Q506 VanDerWaalsContact O-N 3.16Å; R504-Q506 PolarHBondContact O-N 3.34Å; Q506-L509 PolarHBondContact O-N 3.45Å; Q506-R510 WeakPolarHBondContact O-CB 3.49Å; Q506-R510 PolarHBondContact O-N 2.84Å; Q506-I1096 HydrophobicContact CG-CD1 4.41Å
507	K	91.2	Very high	86.5	Confident	52 Å²	52	49.9 Å²	49.9	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-39.4	176.4	-63.7	-173.6	-175.2	-168.4	0	112.5	K502 Q503 R504 A505 R510 Y511 K1034 I1035 Y1036	K502-K507 WeakPolarHBondContact O-CE 3.33Å; Q503-K507 WeakPolarHBondContact O-CG 3.48Å; Q503-K507 PolarHBondContact O-N 2.81Å; R504-K507 PolarHBondContact O-N 3.12Å; A505-K507 VanDerWaalsContact C-N 3.32Å; A505-K507 PolarHBondContact O-N 2.65Å; K507-R510 WeakPolarHBondContact O-CB 3.28Å; K507-R510 PolarHBondContact O-N 3.29Å; K507-Y511 PolarHBondContact O-N 3.2Å; K507-K1034 VanDerWaalsContact CE-O 3.3Å; K507-K1034 WeakPolarHBondContact CE-O 3.34Å; K507-K1034 PolarHBondContact NZ-O 2.97Å; K507-I1035 WeakPolarHBondContact CG-O 3.25Å; K507-Y1036 CarbonylContact C-O 3.57Å; K507-Y1036 VanDerWaalsContact C-O 3.25Å; K507-Y1036 VanDerWaalsContact CB-C 3.44Å; K507-Y1036 VanDerWaalsContact CB-O 3.28Å; K507-Y1036 WeakPolarHBondContact CB-O 3.32Å
508	L	94.1	Very high	86.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-45.5	173.5	-70	179.8	0	0	0	111.9	R504 A505 R510 Y511 I512 P1038 V1039 L1042 V1059 L1061 L1067	R504-L508 WeakPolarHBondContact O-CG 3.48Å; R504-L508 PolarHBondContact O-N 3.37Å; A505-L508 PolarHBondContact O-N 3.46Å; L508-R510 PolarHBondContact O-N 3.31Å; L508-Y511 WeakPolarHBondContact O-CB 3.3Å; L508-Y511 PolarHBondContact O-N 3.37Å; L508-Y511 VanDerWaalsContact O-N 3.11Å; L508-I512 WeakPolarHBondContact O-CD1 3.39Å; L508-I512 WeakPolarHBondContact O-CG1 3.47Å; L508-I512 PolarHBondContact O-N 2.88Å; L508-P1038 WeakPolarHBondContact CD2-O 3.19Å; L508-V1039 HydrophobicContact CD2-CG1 4.29Å; L508-L1042 HydrophobicContact CD2-CD1 4.28Å; L508-L1042 HydrophobicContact CD2-CD2 4.34Å; L508-L1042 HydrophobicContact CD2-CG 4.16Å; L508-V1059 HydrophobicContact CD1-CG1 4.04Å; L508-L1061 HydrophobicContact CD1-CD1 3.94Å; L508-L1067 HydrophobicContact CD1-CD1 4.41Å
509	L	93.6	Very high	87.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-37.5	173.5	-68.6	-177.6	0	0	0	111.5	A505 Q506 I512 G513 I1069 F1087 M1089 R1094 I1096	A505-L509 WeakPolarHBondContact O-CG 3.37Å; A505-L509 PolarHBondContact O-N 2.85Å; Q506-L509 PolarHBondContact O-N 3.45Å; L509-I512 HydrophobicContact CD2-CD1 4.46Å; L509-I512 PolarHBondContact O-N 3.32Å; L509-G513 PolarHBondContact O-N 2.92Å; L509-I1069 HydrophobicContact CD2-CD1 3.95Å; L509-I1069 HydrophobicContact CD2-CG1 4.21Å; L509-I1069 HydrophobicContact CD2-CG2 3.62Å; L509-F1087 HydrophobicContact CB-CD2 4.4Å; L509-F1087 HydrophobicContact CB-CE2 4.29Å; L509-F1087 HydrophobicContact CD1-CD2 4.47Å; L509-F1087 HydrophobicContact CD2-CB 4.1Å; L509-F1087 HydrophobicContact CD2-CD1 3.81Å; L509-F1087 HydrophobicContact CD2-CD2 4.12Å; L509-F1087 HydrophobicContact CD2-CE1 4.2Å; L509-F1087 HydrophobicContact CD2-CE2 4.49Å; L509-F1087 HydrophobicContact CD2-CG 3.76Å; L509-M1089 HydrophobicContact CD1-SD 3.93Å; L509-M1089 HydrophobicContact CG-SD 4.35Å; L509-R1094 HydrophobicContact CD1-CB 3.98Å; L509-R1094 HydrophobicContact CD1-CG 4.09Å; L509-I1096 HydrophobicContact CB-CD1 3.26Å; L509-I1096 HydrophobicContact CB-CG1 4.45Å; L509-I1096 HydrophobicContact CD1-CD1 4.3Å; L509-I1096 HydrophobicContact CG-CD1 4.42Å
510	R	93.5	Very high	88.1	Confident	117 Å²	117	43.5 Å²	43.5	44%	0.442	23%	0.234	S	C	.	.	H	α-helix	trans	-64.8	-39.1	174.6	-167.8	-179.4	-166.7	-163.6	1.8	112.1	Q506 K507 L508 N514 Y1036 I1096 I1098	Q506-R510 WeakPolarHBondContact O-CB 3.49Å; Q506-R510 PolarHBondContact O-N 2.84Å; K507-R510 WeakPolarHBondContact O-CB 3.28Å; K507-R510 PolarHBondContact O-N 3.29Å; L508-R510 PolarHBondContact O-N 3.31Å; R510-N514 WeakPolarHBondContact O-CB 3.18Å; R510-N514 PolarHBondContact O-N 2.91Å; R510-Y1036 HydrophobicContact CG-CE1 4.26Å; R510-I1096 HydrophobicContact CB-CD1 4.38Å; R510-I1096 HydrophobicContact CB-CG2 4.41Å; R510-I1096 HydrophobicContact CG-CG2 4.31Å; R510-I1098 HydrophobicContact CG-CD1 3.83Å; R510-I1098 WeakPolarHBondContact O-CD1 3.49Å
511	Y	95.7	Very high	89	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-51.1	174.1	179.3	-105	0	0	0	111	K507 L508 G513 N514 I515 S521 F1032 Y1036 V1039 L1042 F1047	K507-Y511 PolarHBondContact O-N 3.2Å; L508-Y511 WeakPolarHBondContact O-CB 3.3Å; L508-Y511 PolarHBondContact O-N 3.37Å; L508-Y511 VanDerWaalsContact O-N 3.11Å; Y511-G513 VanDerWaalsContact C-N 3.33Å; Y511-G513 PolarHBondContact O-N 3.07Å; Y511-N514 WeakPolarHBondContact O-CA 3.12Å; Y511-N514 WeakPolarHBondContact O-CB 3.4Å; Y511-N514 PolarHBondContact O-N 2.99Å; Y511-I515 HydrophobicContact CD1-CG1 4.24Å; Y511-I515 HydrophobicContact CD2-CG1 4.5Å; Y511-I515 HydrophobicContact CE1-CD1 4.33Å; Y511-I515 HydrophobicContact CE1-CG1 3.85Å; Y511-I515 HydrophobicContact CE2-CD1 3.93Å; Y511-I515 HydrophobicContact CE2-CG1 4.08Å; Y511-I515 WeakPolarHBondContact O-CG1 3.5Å; Y511-I515 PolarHBondContact O-N 3.43Å; Y511-S521 WeakPolarHBondContact CE2-OG 3.48Å; Y511-S521 PolarHBondContact OH-OG 2.83Å; Y511-F1032 HydrophobicContact CD2-CE2 4.5Å; Y511-F1032 AromaticContact CD2-CZ 3.78Å; Y511-F1032 HydrophobicContact CD2-CZ 3.78Å; Y511-F1032 HydrophobicContact CE2-CE2 4.18Å; Y511-F1032 AromaticContact CE2-CZ 3.51Å; Y511-F1032 HydrophobicContact CE2-CZ 3.51Å; Y511-Y1036 VanDerWaalsContact CA-CD1 3.43Å; Y511-Y1036 AromaticContact CD2-CD1 3.96Å; Y511-Y1036 HydrophobicContact CD2-CD1 3.96Å; Y511-Y1036 HydrophobicContact CD2-CD2 4.14Å; Y511-Y1036 HydrophobicContact CD2-CE1 4.4Å; Y511-Y1036 AromaticContact CD2-CG 3.81Å; Y511-Y1036 HydrophobicContact CD2-CG 3.81Å; Y511-Y1036 HydrophobicContact CG-CD1 4.27Å; Y511-Y1036 HydrophobicContact CG-CG 4.35Å; Y511-V1039 HydrophobicContact CD1-CG1 3.9Å; Y511-V1039 HydrophobicContact CD2-CG1 4Å; Y511-V1039 HydrophobicContact CE1-CG1 4.22Å; Y511-V1039 HydrophobicContact CE2-CG1 4.36Å; Y511-V1039 HydrophobicContact CG-CG1 3.75Å; Y511-L1042 HydrophobicContact CD1-CD1 3.41Å; Y511-L1042 VanDerWaalsContact CD1-CD1 3.41Å; Y511-L1042 HydrophobicContact CE1-CD1 3.67Å; Y511-F1047 HydrophobicContact CE1-CD2 4.02Å; Y511-F1047 AromaticContact CZ-CD2 3.96Å; Y511-F1047 WeakPolarHBondContact OH-CD2 3.37Å; Y511-F1047 VanDerWaalsContact OH-CE2 3.29Å; Y511-F1047 WeakPolarHBondContact OH-CE2 3.28Å; Y511-F1047 PolarHBondContact OH-O 3.39Å
512	I	95.7	Very high	89.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-47.5	177.9	-65.2	157	0	0	0	110.5	L508 L509 N514 I515 M516 L1042 P1051 F1057 I1069 F1087	L508-I512 WeakPolarHBondContact O-CD1 3.39Å; L508-I512 WeakPolarHBondContact O-CG1 3.47Å; L508-I512 PolarHBondContact O-N 2.88Å; L509-I512 HydrophobicContact CD2-CD1 4.46Å; L509-I512 PolarHBondContact O-N 3.32Å; I512-N514 VanDerWaalsContact C-N 3.33Å; I512-N514 PolarHBondContact O-N 2.99Å; I512-I515 PolarHBondContact O-N 3.05Å; I512-M516 HydrophobicContact CG2-SD 4.21Å; I512-M516 WeakPolarHBondContact O-CG 3.44Å; I512-M516 PolarHBondContact O-N 3.12Å; I512-L1042 HydrophobicContact CD1-CD2 4.23Å; I512-P1051 HydrophobicContact CG2-CG 3.66Å; I512-F1057 HydrophobicContact CD1-CE2 4.2Å; I512-F1057 HydrophobicContact CD1-CZ 3.74Å; I512-F1057 HydrophobicContact CG1-CZ 4.48Å; I512-I1069 HydrophobicContact CD1-CD1 4.11Å; I512-F1087 HydrophobicContact CB-CE1 4.2Å; I512-F1087 HydrophobicContact CB-CZ 4.26Å; I512-F1087 HydrophobicContact CG2-CE1 3.63Å; I512-F1087 HydrophobicContact CG2-CZ 4.01Å
513	G	95.3	Very high	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-41.3	175.6	0	0	0	0	0	112.3	L509 Y511 M516 I517	L509-G513 PolarHBondContact O-N 2.92Å; Y511-G513 VanDerWaalsContact C-N 3.33Å; Y511-G513 PolarHBondContact O-N 3.07Å; G513-M516 PolarHBondContact O-N 3.48Å; G513-I517 WeakPolarHBondContact O-CG1 3.28Å; G513-I517 PolarHBondContact O-N 3.37Å; G513-I517 VanDerWaalsContact O-N 3.08Å
514	N	95.4	Very high	90.8	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-42.4	174.2	178	81.6	0	0	0	112.4	R510 Y511 I512 M516 I517 N518 Y1036 I1098	R510-N514 WeakPolarHBondContact O-CB 3.18Å; R510-N514 PolarHBondContact O-N 2.91Å; Y511-N514 WeakPolarHBondContact O-CA 3.12Å; Y511-N514 WeakPolarHBondContact O-CB 3.4Å; Y511-N514 PolarHBondContact O-N 2.99Å; I512-N514 VanDerWaalsContact C-N 3.33Å; I512-N514 PolarHBondContact O-N 2.99Å; N514-M516 VanDerWaalsContact C-N 3.34Å; N514-I517 PolarHBondContact O-N 3.49Å; N514-N518 WeakPolarHBondContact O-CA 3.47Å; N514-N518 WeakPolarHBondContact O-CB 3.37Å; N514-N518 PolarHBondContact O-N 3.06Å; N514-N518 PolarHBondContact OD1-ND2 3.44Å; N514-Y1036 HydrophobicContact CB-CE1 4.11Å; N514-I1098 HydrophobicContact CB-CG2 4.4Å
515	I	94.5	Very high	90.5	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-41.2	177	-61.9	-64	0	0	0	111.1	Y511 I512 I517 G519 V1049	Y511-I515 HydrophobicContact CD1-CG1 4.24Å; Y511-I515 HydrophobicContact CD2-CG1 4.5Å; Y511-I515 HydrophobicContact CE1-CD1 4.33Å; Y511-I515 HydrophobicContact CE1-CG1 3.85Å; Y511-I515 HydrophobicContact CE2-CD1 3.93Å; Y511-I515 HydrophobicContact CE2-CG1 4.08Å; Y511-I515 WeakPolarHBondContact O-CG1 3.5Å; Y511-I515 PolarHBondContact O-N 3.43Å; I512-I515 PolarHBondContact O-N 3.05Å; I515-I517 PolarHBondContact O-N 3.36Å; I515-G519 WeakPolarHBondContact CA-O 3.25Å; I515-G519 CarbonylContact O-C 3.52Å; I515-G519 WeakPolarHBondContact O-CA 3.5Å; I515-G519 PolarHBondContact O-N 2.96Å; I515-V1049 VanDerWaalsContact CG2-C 3.43Å
516	M	93.9	Very high	90.3	Very high	48 Å²	48	34.8 Å²	34.8	24%	0.236	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-35.7	178.7	-69	177.2	77.9	0	0	113.5	I512 G513 N514 P1051 T1071 V1074 V1085 F1087	I512-M516 HydrophobicContact CG2-SD 4.21Å; I512-M516 WeakPolarHBondContact O-CG 3.44Å; I512-M516 PolarHBondContact O-N 3.12Å; G513-M516 PolarHBondContact O-N 3.48Å; N514-M516 VanDerWaalsContact C-N 3.34Å; M516-P1051 HydrophobicContact SD-CG 4.26Å; M516-T1071 HydrophobicContact CE-CG2 3.98Å; M516-T1071 HydrophobicContact SD-CG2 3.59Å; M516-T1071 VanDerWaalsContact SD-CG2 3.59Å; M516-V1074 HydrophobicContact CE-CG2 3.73Å; M516-V1085 HydrophobicContact CE-CG1 4.4Å; M516-V1085 HydrophobicContact SD-CG1 3.86Å; M516-F1087 HydrophobicContact SD-CE1 4.43Å
517	I	93.6	Very high	90.2	Very high	29 Å²	29	43.1 Å²	43.1	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-88.2	-46	-178.3	-60.3	-47.2	0	0	0	112.3	G513 N514 I515 V1074 R1083 V1085 I1098 D1100	G513-I517 WeakPolarHBondContact O-CG1 3.28Å; G513-I517 PolarHBondContact O-N 3.37Å; G513-I517 VanDerWaalsContact O-N 3.08Å; N514-I517 PolarHBondContact O-N 3.49Å; I515-I517 PolarHBondContact O-N 3.36Å; I517-V1074 HydrophobicContact CD1-CB 4.46Å; I517-V1074 HydrophobicContact CD1-CG1 3.38Å; I517-V1074 HydrophobicContact CD1-CG2 4.23Å; I517-R1083 HydrophobicContact CD1-CB 3.9Å; I517-R1083 HydrophobicContact CD1-CG 4.46Å; I517-R1083 HydrophobicContact CG1-CB 4.28Å; I517-V1085 HydrophobicContact CD1-CG2 3.98Å; I517-V1085 HydrophobicContact CG1-CG2 3.93Å; I517-I1098 HydrophobicContact CB-CG2 3.89Å; I517-I1098 HydrophobicContact CG1-CB 4.04Å; I517-I1098 HydrophobicContact CG1-CG2 3.87Å; I517-I1098 HydrophobicContact CG2-CG2 4.29Å; I517-D1100 HydrophobicContact CG2-CB 3.86Å
518	N	93.5	Very high	90.1	Very high	44 Å²	44	44.6 Å²	44.6	24%	0.235	24%	0.238	C	C	.	.	H	α-helix	trans	-105.5	1.8	-168.7	-63.9	-53.8	0	0	0	113.4	N514 S1099 K1101	N514-N518 WeakPolarHBondContact O-CA 3.47Å; N514-N518 WeakPolarHBondContact O-CB 3.37Å; N514-N518 PolarHBondContact O-N 3.06Å; N514-N518 PolarHBondContact OD1-ND2 3.44Å; N518-S1099 PolarHBondContact ND2-O 3.37Å; N518-S1099 PolarHBondContact OD1-O 2.8Å; N518-K1101 HydrophobicContact CB-CD 4.3Å; N518-K1101 WeakPolarHBondContact OD1-CB 3.41Å; N518-K1101 WeakPolarHBondContact OD1-CG 3.38Å; N518-K1101 PolarHBondContact OD1-N 3.47Å
519	G	91.1	Very high	89.9	Confident	27 Å²	27	49 Å²	49	28%	0.278	27%	0.268	S	S	.	.			trans	77.5	-176.4	-176.3	0	0	0	0	0	114	I515 S521	I515-G519 WeakPolarHBondContact CA-O 3.25Å; I515-G519 CarbonylContact O-C 3.52Å; I515-G519 WeakPolarHBondContact O-CA 3.5Å; I515-G519 PolarHBondContact O-N 2.96Å; G519-S521 PolarHBondContact O-N 2.93Å
520	P	90.2	Very high	89.9	Confident	56 Å²	56	49.5 Å²	49.5	36%	0.364	27%	0.271	S	S	.	.			trans	-51.6	130.6	-178.9	-28.1	35.6	0	0	0	113	T522 L524 F1048	P520-T522 VanDerWaalsContact C-N 3.25Å; P520-T522 VanDerWaalsContact CB-O 3.32Å; P520-T522 WeakPolarHBondContact CB-O 3.33Å; P520-T522 PolarHBondContact O-N 3.43Å; P520-L524 HydrophobicContact CB-CD1 4.47Å; P520-L524 HydrophobicContact CB-CD2 4.34Å; P520-L524 HydrophobicContact CB-CG 4.1Å; P520-L524 HydrophobicContact CG-CD1 3.81Å; P520-L524 HydrophobicContact CG-CG 3.96Å; P520-F1048 WeakPolarHBondContact CA-O 3.31Å; P520-F1048 VanDerWaalsContact CB-O 3.22Å; P520-F1048 WeakPolarHBondContact CB-O 3.38Å; P520-F1048 WeakPolarHBondContact CG-O 3.41Å
521	S	86	Confident	89.9	Confident	43 Å²	43	45.3 Å²	45.3	30%	0.301	26%	0.259	S	S	.	.	S	Bend	trans	-69.6	-29.9	172.8	58	0	0	0	0	111.8	Y511 G519	Y511-S521 WeakPolarHBondContact CE2-OG 3.48Å; Y511-S521 PolarHBondContact OH-OG 2.83Å; G519-S521 PolarHBondContact O-N 2.93Å
522	T	84.8	Confident	89.7	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.025	28%	0.281	C	S	.	.	S	Bend	trans	-99.4	121	175.6	-48.7	0	0	0	0	108	P520 L524 F627 F857 F1048	P520-T522 VanDerWaalsContact C-N 3.25Å; P520-T522 VanDerWaalsContact CB-O 3.32Å; P520-T522 WeakPolarHBondContact CB-O 3.33Å; P520-T522 PolarHBondContact O-N 3.43Å; T522-L524 PolarHBondContact O-N 2.62Å; T522-L524 VanDerWaalsContact O-N 3.14Å; T522-F627 HydrophobicContact CG2-CB 4.08Å; T522-F627 WeakPolarHBondContact CG2-O 3.18Å; T522-F627 PolarHBondContact OG1-O 2.93Å; T522-F857 HydrophobicContact CG2-CZ 4.42Å; T522-F1048 HydrophobicContact CG2-CE1 4.34Å
523	M	81.7	Confident	89.5	Confident	157 Å²	157	53.1 Å²	53.1	77%	0.773	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-59.6	118.9	179	-172.1	172.4	73	0	0	110.3
524	L	85.5	Confident	89.3	Confident	50 Å²	50	59.9 Å²	59.9	26%	0.262	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-73	135.3	175.3	-57	-172.9	0	0	0	109.1	P520 T522 P856 F857 F1048 V1049	P520-L524 HydrophobicContact CB-CD1 4.47Å; P520-L524 HydrophobicContact CB-CD2 4.34Å; P520-L524 HydrophobicContact CB-CG 4.1Å; P520-L524 HydrophobicContact CG-CD1 3.81Å; P520-L524 HydrophobicContact CG-CG 3.96Å; T522-L524 PolarHBondContact O-N 2.62Å; T522-L524 VanDerWaalsContact O-N 3.14Å; L524-P856 HydrophobicContact CB-CB 4.02Å; L524-P856 HydrophobicContact CD1-CB 4.34Å; L524-P856 HydrophobicContact CD1-CG 4.43Å; L524-P856 HydrophobicContact CD2-CB 3.85Å; L524-P856 HydrophobicContact CD2-CG 4.18Å; L524-P856 HydrophobicContact CG-CB 4.27Å; L524-F857 HydrophobicContact CD2-CE1 4.46Å; L524-F857 HydrophobicContact CD2-CE2 4.42Å; L524-F857 HydrophobicContact CD2-CZ 3.82Å; L524-F1048 HydrophobicContact CD2-CB 4.38Å; L524-F1048 HydrophobicContact CD2-CD1 4.31Å; L524-V1049 HydrophobicContact CD1-CG1 4.14Å
525	A	78	Confident	89.3	Confident	47 Å²	47	59.3 Å²	59.3	39%	0.388	33%	0.329	S	S	.	.	S	Bend	trans	-84.6	-24.8	-174.3	0	0	0	0	0	112.8	P856 F857 F885	A525-P856 CarbonylContact C-O 3.56Å; A525-P856 WeakPolarHBondContact CA-O 3.43Å; A525-P856 WeakPolarHBondContact CB-O 3.3Å; A525-P856 PolarHBondContact N-O 3.09Å; A525-P856 VanDerWaalsContact N-O 3.09Å; A525-F857 HydrophobicContact CB-CD1 4.16Å; A525-F885 HydrophobicContact CB-CD1 4.06Å; A525-F885 HydrophobicContact CB-CE1 3.61Å; A525-F885 HydrophobicContact CB-CZ 3.9Å
526	T	82.2	Confident	89.3	Confident	21 Å²	21	66.5 Å²	66.5	13%	0.129	36%	0.36	C	S	.	.	S	Bend	trans	-131.1	169.7	179.6	83.1	0	0	0	0	110.4	L528 A855 P856 T861 F885	T526-L528 VanDerWaalsContact C-N 3.28Å; T526-L528 PolarHBondContact OG1-N 2.93Å; T526-A855 PolarHBondContact OG1-O 2.85Å; T526-P856 PolarHBondContact N-O 2.91Å; T526-P856 WeakPolarHBondContact OG1-CA 3.33Å; T526-P856 PolarHBondContact OG1-O 3.46Å; T526-T861 HydrophobicContact CG2-CG2 3.85Å; T526-T861 WeakPolarHBondContact CG2-OG1 3.43Å; T526-F885 HydrophobicContact CG2-CE1 4.35Å
527	Q	84.1	Confident	89.4	Confident	193 Å²	193	66.5 Å²	66.5	90%	0.902	36%	0.362	S	S	*	.	S	Bend	trans	-85.3	1	175.6	-61.6	-62.4	-25.5	0	0	113.1	P529	Q527-P529 WeakPolarHBondContact O-CD 3.45Å
528	L	89.3	Confident	89.4	Confident	82 Å²	82	66.1 Å²	66.1	43%	0.429	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-72.1	122.6	176.2	-66.7	-177.5	0	0	0	109.1	T526 A855 P856 T861	T526-L528 VanDerWaalsContact C-N 3.28Å; T526-L528 PolarHBondContact OG1-N 2.93Å; L528-A855 HydrophobicContact CB-CB 3.97Å; L528-A855 HydrophobicContact CD1-CB 4.48Å; L528-P856 WeakPolarHBondContact O-CA 3.22Å; L528-P856 WeakPolarHBondContact O-CD 3.34Å; L528-P856 WeakPolarHBondContact O-CG 3.12Å; L528-T861 HydrophobicContact CD1-CG2 3.36Å; L528-T861 HydrophobicContact CG-CG2 4.02Å
529	P	90.6	Very high	89.2	Confident	94 Å²	94	70.4 Å²	70.4	61%	0.61	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-73	151.8	177.7	30.7	-34.4	0	0	0	110.6	Q527 S531	Q527-P529 WeakPolarHBondContact O-CD 3.45Å; P529-S531 PolarHBondContact O-N 3.24Å
530	P	93.7	Very high	89.1	Confident	10 Å²	10	70.5 Å²	70.5	7%	0.065	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-53	138.3	162.9	-25.9	37.8	0	0	0	110.8	L853 P856 R1045 F1048 V1049	P530-L853 WeakPolarHBondContact CB-O 3.4Å; P530-P856 HydrophobicContact CG-CG 3.64Å; P530-R1045 HydrophobicContact CB-CG 3.92Å; P530-F1048 HydrophobicContact CG-CB 4.13Å; P530-V1049 HydrophobicContact CG-CG1 3.91Å; P530-V1049 HydrophobicContact CG-CG2 4.16Å
531	S	93.2	Very high	88.9	Confident	28 Å²	28	71 Å²	71	20%	0.196	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-61.3	150.5	175.2	61.5	0	0	0	0	112.2	P529 I533 S852 L853 R1045	P529-S531 PolarHBondContact O-N 3.24Å; S531-I533 VanDerWaalsContact C-N 3.35Å; S531-I533 PolarHBondContact O-N 3.2Å; S531-S852 VanDerWaalsContact CB-OG 3.31Å; S531-S852 WeakPolarHBondContact CB-OG 3.45Å; S531-S852 PolarHBondContact N-O 2.87Å; S531-S852 VanDerWaalsContact N-O 3.1Å; S531-S852 WeakPolarHBondContact OG-CB 3.22Å; S531-S852 PolarHBondContact OG-O 3.4Å; S531-S852 PolarHBondContact OG-OG 3.35Å; S531-L853 WeakPolarHBondContact O-CD2 3.39Å; S531-L853 WeakPolarHBondContact OG-CD2 3.43Å; S531-L853 PolarHBondContact OG-N 2.99Å; S531-R1045 WeakPolarHBondContact O-CD 3.4Å
532	D	92.2	Very high	88.7	Confident	86 Å²	86	76.4 Å²	76.4	46%	0.46	40%	0.403	S	S	.	.	S	Bend	trans	-97	60.1	179.1	-158.9	15.9	0	0	0	110.9	R1045 K1052	D532-R1045 WeakPolarHBondContact OD1-CD 3.37Å; D532-R1045 IonicContact OD1-CZ 3.01Å; D532-R1045 IonicContact OD1-NE 3.2Å; D532-R1045 PolarHBondContact OD1-NE 3.21Å; D532-R1045 IonicContact OD1-NH2 2.99Å; D532-K1052 IonicContact OD2-NZ 2.73Å; D532-K1052 PolarHBondContact OD2-NZ 2.98Å
533	I	91.3	Very high	88.3	Confident	78 Å²	78	80.2 Å²	80.2	40%	0.4	44%	0.435	S	S	.	.			trans	-132.8	158.8	179.7	69.5	174.2	0	0	0	110.7	S531 Q849 S852 L853	S531-I533 VanDerWaalsContact C-N 3.35Å; S531-I533 PolarHBondContact O-N 3.2Å; I533-Q849 HydrophobicContact CD1-CB 3.88Å; I533-Q849 HydrophobicContact CD1-CG 4.23Å; I533-S852 WeakPolarHBondContact CD1-OG 3.21Å; I533-L853 HydrophobicContact CG1-CD2 4.38Å
534	E	91.4	Very high	88.1	Confident	142 Å²	142	78.2 Å²	78.2	66%	0.664	43%	0.427	S	S	*	.			trans	-104.9	113.1	162.7	-173.8	179.4	173.2	0	0	108.4	K536 R598	E534-K536 PolarHBondContact O-N 3.37Å; E534-R598 IonicContact OE1-CZ 3.11Å; E534-R598 IonicContact OE1-NH2 2.91Å; E534-R598 PolarHBondContact OE1-NH2 3.01Å
535	P	94.8	Very high	88.1	Confident	2 Å²	2	84.3 Å²	84.3	1%	0.013	45%	0.454	C	S	.	.			trans	-56.2	129	178.8	-27.5	34.4	0	0	0	111.5	V537 R598 Y846 Q849 T850 L853	P535-V537 PolarHBondContact O-N 3.46Å; P535-R598 PolarHBondContact O-NH1 2.68Å; P535-R598 PolarHBondContact O-NH2 2.54Å; P535-Y846 HydrophobicContact CB-CD2 4.15Å; P535-Y846 HydrophobicContact CB-CE2 3.86Å; P535-Q849 HydrophobicContact CB-CB 3.97Å; P535-Q849 HydrophobicContact CG-CB 4.38Å; P535-T850 WeakPolarHBondContact CB-OG1 3.39Å; P535-L853 HydrophobicContact CG-CD1 3.58Å; P535-L853 HydrophobicContact CG-CG 4.25Å
536	K	94.7	Very high	88.8	Confident	156 Å²	156	84.7 Å²	84.7	68%	0.678	45%	0.449	S	S	*	.			trans	-72.8	113.3	179.3	-175	-178.6	179	-175.6	0	110.3	E534 Q849	E534-K536 PolarHBondContact O-N 3.37Å; K536-Q849 VanDerWaalsContact N-OE1 3.17Å
537	V	94.9	Very high	89.3	Confident	47 Å²	47	86 Å²	86	29%	0.285	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-74.3	130.3	172.7	-175.4	0	0	0	0	109.4	P535 R598 Y846	P535-V537 PolarHBondContact O-N 3.46Å; V537-R598 WeakPolarHBondContact CG1-O 3.45Å; V537-R598 HydrophobicContact CG2-CB 3.87Å; V537-Y846 HydrophobicContact CG2-CD2 4.44Å; V537-Y846 HydrophobicContact CG2-CE2 3.98Å
538	P	94.1	Very high	89.9	Confident	22 Å²	22	84.2 Å²	84.2	14%	0.143	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-60.2	142.4	174.4	-23.2	33.8	0	0	0	112.3	I599 Y602 T842	P538-I599 HydrophobicContact CG-CD1 4.04Å; P538-Y602 HydrophobicContact CB-CD2 3.52Å; P538-Y602 HydrophobicContact CB-CE2 3.68Å; P538-Y602 HydrophobicContact CB-CG 4.29Å; P538-Y602 HydrophobicContact CG-CD2 4.07Å; P538-Y602 HydrophobicContact CG-CE2 4.25Å; P538-Y602 HydrophobicContact CG-CG 4.39Å; P538-T842 HydrophobicContact CB-CG2 3.61Å; P538-T842 HydrophobicContact CG-CG2 3.59Å
539	T	90.4	Very high	90.2	Very high	133 Å²	133	81 Å²	81	82%	0.816	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-76.4	133.8	179.1	50.2	0	0	0	0	111.2
540	I	88.8	Confident	90.5	Very high	29 Å²	29	78 Å²	78	15%	0.149	41%	0.406	C	S	.	.			trans	-119.3	153.4	171.9	58.9	164.4	0	0	0	111	Y542 P601 Y602 Y605 Q606	I540-Y542 HydrophobicContact CD1-CD1 4.38Å; I540-Y542 HydrophobicContact CD1-CE1 3.79Å; I540-Y542 HydrophobicContact CD1-CE2 4.02Å; I540-Y542 HydrophobicContact CG1-CD2 4.36Å; I540-Y542 HydrophobicContact CG1-CE2 3.86Å; I540-P601 HydrophobicContact CD1-CB 3.39Å; I540-Y602 HydrophobicContact CG2-CD2 3.96Å; I540-Y605 HydrophobicContact CD1-CD2 3.71Å; I540-Y605 HydrophobicContact CD1-CE2 3.97Å; I540-Y605 HydrophobicContact CD1-CG 4.12Å; I540-Q606 HydrophobicContact CG2-CG 4.34Å
541	S	85.6	Confident	90.7	Very high	67 Å²	67	79.3 Å²	79.3	47%	0.469	41%	0.41	S	S	.	.			trans	-93.3	110.6	173	-177.4	0	0	0	0	110.4	A543	S541-A543 PolarHBondContact O-N 3.17Å; S541-A543 WeakPolarHBondContact OG-CB 3.41Å; S541-A543 PolarHBondContact OG-N 2.88Å
542	Y	81.4	Confident	90.9	Very high	157 Å²	157	79.9 Å²	79.9	62%	0.616	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	1.5	171.5	-66.9	-82.8	0	0	0	113.4	I540 N544 Y605	I540-Y542 HydrophobicContact CD1-CD1 4.38Å; I540-Y542 HydrophobicContact CD1-CE1 3.79Å; I540-Y542 HydrophobicContact CD1-CE2 4.02Å; I540-Y542 HydrophobicContact CG1-CD2 4.36Å; I540-Y542 HydrophobicContact CG1-CE2 3.86Å; Y542-N544 VanDerWaalsContact C-N 3.26Å; Y542-N544 PolarHBondContact O-N 3.46Å; Y542-Y605 HydrophobicContact CD1-CE2 4.48Å; Y542-Y605 HydrophobicContact CE1-CE2 4.47Å
543	A	77	Confident	91	Very high	84 Å²	84	77.6 Å²	77.6	69%	0.694	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.8	179	0	0	0	0	0	112.7	S541	S541-A543 PolarHBondContact O-N 3.17Å; S541-A543 WeakPolarHBondContact OG-CB 3.41Å; S541-A543 PolarHBondContact OG-N 2.88Å
544	N	76.2	Confident	91.3	Very high	114 Å²	114	74.5 Å²	74.5	61%	0.61	38%	0.382	S	S	*	.	S	Bend	trans	-95.6	151.8	178.7	-65.4	-30.3	0	0	0	110.5	Y542 Y605	Y542-N544 VanDerWaalsContact C-N 3.26Å; Y542-N544 PolarHBondContact O-N 3.46Å; N544-Y605 WeakPolarHBondContact O-CE1 3.35Å
545	H	87.3	Confident	91.6	Very high	178 Å²	178	72.9 Å²	72.9	82%	0.824	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-68.3	149.9	167.5	-65.1	81.5	0	0	0	109.5	P547	H545-P547 WeakPolarHBondContact O-CD 3.49Å
546	I	91.7	Very high	91.7	Very high	56 Å²	56	78.3 Å²	78.3	29%	0.287	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-55.9	125.2	173.8	-63	173.3	0	0	0	108.6	A604 Y605 P644 N645	I546-A604 HydrophobicContact CG2-CB 4.44Å; I546-Y605 HydrophobicContact CD1-CE2 4.08Å; I546-Y605 HydrophobicContact CG1-CD2 4.22Å; I546-Y605 HydrophobicContact CG1-CE1 4.1Å; I546-Y605 HydrophobicContact CG1-CE2 3.56Å; I546-Y605 VanDerWaalsContact CG1-CZ 3.49Å; I546-P644 HydrophobicContact CD1-CG 3.6Å; I546-P644 HydrophobicContact CG2-CG 4.22Å; I546-N645 HydrophobicContact CG2-CB 3.99Å; I546-N645 VanDerWaalsContact CG2-CG 3.47Å; I546-N645 WeakPolarHBondContact CG2-ND2 3.28Å
547	P	93.6	Very high	91.7	Very high	47 Å²	47	77.1 Å²	77.1	31%	0.305	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60.4	150.1	179.6	-22.8	33.1	0	0	0	112	H545 P608 N645	H545-P547 WeakPolarHBondContact O-CD 3.49Å; P547-P608 HydrophobicContact CB-CB 3.96Å; P547-P608 HydrophobicContact CB-CG 3.9Å; P547-P608 HydrophobicContact CG-CG 4.23Å; P547-N645 WeakPolarHBondContact O-CB 3.47Å; P547-N645 PolarHBondContact O-ND2 2.95Å
548	R	95.4	Very high	91.8	Very high	156 Å²	156	75.9 Å²	75.9	59%	0.589	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-68.6	137.1	173	-68.4	179.6	60	95.6	0.3	109.9	N552 E556	R548-N552 WeakPolarHBondContact CA-OD1 3.43Å; R548-E556 IonicContact CZ-OE1 3.75Å; R548-E556 VanDerWaalsContact CZ-OE1 3.22Å; R548-E556 IonicContact CZ-OE2 2.75Å; R548-E556 IonicContact NH1-OE1 2.89Å; R548-E556 PolarHBondContact NH1-OE1 2.96Å; R548-E556 IonicContact NH2-OE1 2.67Å; R548-E556 PolarHBondContact NH2-OE1 3.47Å; R548-E556 IonicContact NH2-OE2 3.77Å; R548-E556 PolarHBondContact NH2-OE2 2.95Å
549	G	96	Very high	91.9	Very high	14 Å²	14	76.2 Å²	76.2	14%	0.144	40%	0.396	C	S	.	.			trans	-130.4	-171.6	177.3	0	0	0	0	0	112.2	R551 N552 N645	G549-R551 PolarHBondContact O-N 3.01Å; G549-R551 VanDerWaalsContact O-N 3.16Å; G549-N552 PolarHBondContact N-OD1 3.05Å; G549-N552 WeakPolarHBondContact O-CB 3.17Å; G549-N552 PolarHBondContact O-N 3.25Å; G549-N552 VanDerWaalsContact O-N 3.11Å; G549-N552 PolarHBondContact O-OD1 3.29Å; G549-N645 CarbonylContact C-O 3.57Å; G549-N645 VanDerWaalsContact C-O 3.31Å; G549-N645 WeakPolarHBondContact CA-O 3.48Å
550	W	97.5	Very high	92.1	Very high	33 Å²	33	73.8 Å²	73.8	13%	0.125	38%	0.381	C	S	.	.	H	α-helix	trans	-58.3	-29.1	-176.4	-77.1	94.7	0	0	0	113.7	N552 M553 L554 F562 A565 I566 H569 L573 F611 N645 P647	W550-N552 VanDerWaalsContact C-N 3.33Å; W550-N552 PolarHBondContact O-N 3.16Å; W550-M553 HydrophobicContact CD2-CE 4.39Å; W550-M553 HydrophobicContact CE3-CE 3.27Å; W550-M553 HydrophobicContact CH2-CE 4.27Å; W550-M553 HydrophobicContact CZ3-CE 3.22Å; W550-M553 PolarHBondContact O-N 3.03Å; W550-L554 PolarHBondContact O-N 3.41Å; W550-L554 VanDerWaalsContact O-N 3.14Å; W550-F562 HydrophobicContact CB-CE2 4.11Å; W550-F562 HydrophobicContact CE3-CD2 4.41Å; W550-F562 AromaticContact CE3-CE2 3.76Å; W550-F562 HydrophobicContact CE3-CE2 3.76Å; W550-F562 HydrophobicContact CE3-CZ 4.33Å; W550-F562 WeakPolarHBondContact O-CE2 3.47Å; W550-A565 HydrophobicContact CZ3-CB 4.47Å; W550-I566 HydrophobicContact CZ3-CG1 3.97Å; W550-H569 HydrophobicContact CH2-CB 4.12Å; W550-H569 AromaticContact CH2-CG 3.97Å; W550-H569 AromaticContact CZ2-CE1 3.97Å; W550-H569 AromaticContact CZ2-CG 3.95Å; W550-H569 AromaticContact CZ2-ND1 3.85Å; W550-L573 HydrophobicContact CH2-CD1 3.85Å; W550-L573 HydrophobicContact CH2-CD2 4.36Å; W550-L573 HydrophobicContact CZ2-CD1 3.83Å; W550-L573 HydrophobicContact CZ2-CD2 3.53Å; W550-L573 HydrophobicContact CZ2-CG 4.32Å; W550-L573 HydrophobicContact CZ3-CD1 4.32Å; W550-F611 HydrophobicContact CD2-CD2 4.32Å; W550-F611 HydrophobicContact CE3-CD2 4.37Å; W550-F611 HydrophobicContact CG-CD2 4.48Å; W550-N645 PolarHBondContact N-O 2.75Å; W550-P647 HydrophobicContact CB-CG 3.77Å
551	R	97.8	Very high	92.5	Very high	37 Å²	37	76.2 Å²	76.2	14%	0.14	39%	0.392	C	S	.	.	H	α-helix	trans	-68.4	-34	179.4	-167.2	167.1	178.9	-86.6	-9.8	112.4	G549 M553 L554 L555 P644 N645 P647 D681	G549-R551 PolarHBondContact O-N 3.01Å; G549-R551 VanDerWaalsContact O-N 3.16Å; R551-M553 VanDerWaalsContact C-N 3.28Å; R551-M553 PolarHBondContact O-N 3.43Å; R551-L554 PolarHBondContact O-N 2.93Å; R551-L555 HydrophobicContact CG-CD1 4.25Å; R551-L555 HydrophobicContact CG-CG 4.26Å; R551-L555 WeakPolarHBondContact O-CG 3.4Å; R551-L555 PolarHBondContact O-N 3.28Å; R551-P644 WeakPolarHBondContact CD-O 3.35Å; R551-P644 PolarHBondContact NH1-O 3.29Å; R551-N645 VanDerWaalsContact CB-C 3.48Å; R551-N645 WeakPolarHBondContact CB-O 3.42Å; R551-N645 PolarHBondContact N-O 3.5Å; R551-P647 HydrophobicContact CB-CG 4Å; R551-D681 WeakPolarHBondContact CD-OD2 3.43Å; R551-D681 IonicContact CZ-OD1 3.76Å; R551-D681 IonicContact NE-OD1 3.43Å; R551-D681 PolarHBondContact NE-OD1 3.26Å; R551-D681 IonicContact NE-OD2 3.47Å; R551-D681 PolarHBondContact NE-OD2 3.05Å; R551-D681 IonicContact NH2-OD1 3.64Å; R551-D681 PolarHBondContact NH2-OD1 3.34Å
552	N	97.2	Very high	93.1	Very high	39 Å²	39	73 Å²	73	21%	0.209	37%	0.369	C	S	.	.	H	α-helix	trans	-60.1	-43.5	177.1	-61.8	100.9	0	0	0	110.5	R548 G549 W550 L555 E556	R548-N552 WeakPolarHBondContact CA-OD1 3.43Å; G549-N552 PolarHBondContact N-OD1 3.05Å; G549-N552 WeakPolarHBondContact O-CB 3.17Å; G549-N552 PolarHBondContact O-N 3.25Å; G549-N552 VanDerWaalsContact O-N 3.11Å; G549-N552 PolarHBondContact O-OD1 3.29Å; W550-N552 VanDerWaalsContact C-N 3.33Å; W550-N552 PolarHBondContact O-N 3.16Å; N552-L555 PolarHBondContact O-N 2.89Å; N552-E556 WeakPolarHBondContact O-CB 3.29Å; N552-E556 WeakPolarHBondContact O-CG 3.39Å; N552-E556 PolarHBondContact O-N 2.89Å
553	M	95.2	Very high	93.8	Very high	39 Å²	39	66.3 Å²	66.3	19%	0.192	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-43	176.7	179.7	170.7	68.2	0	0	112.4	W550 R551 L555 E556 K557 F562 A565	W550-M553 HydrophobicContact CD2-CE 4.39Å; W550-M553 HydrophobicContact CE3-CE 3.27Å; W550-M553 HydrophobicContact CH2-CE 4.27Å; W550-M553 HydrophobicContact CZ3-CE 3.22Å; W550-M553 PolarHBondContact O-N 3.03Å; R551-M553 VanDerWaalsContact C-N 3.28Å; R551-M553 PolarHBondContact O-N 3.43Å; M553-L555 PolarHBondContact O-N 2.98Å; M553-E556 PolarHBondContact O-N 3.15Å; M553-K557 HydrophobicContact CG-CD 4.26Å; M553-K557 PolarHBondContact O-N 3.19Å; M553-F562 HydrophobicContact CE-CD2 3.7Å; M553-F562 HydrophobicContact CE-CE2 4.13Å; M553-A565 HydrophobicContact CE-CB 3.28Å; M553-A565 HydrophobicContact SD-CB 3.4Å; M553-A565 WeakPolarHBondContact SD-CB 3.37Å
554	L	97.4	Very high	94.8	Very high	13 Å²	13	67.8 Å²	67.8	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-47.1	177.6	175.6	59.1	0	0	0	111.5	W550 R551 E556 G558 P559 F562 D681 V708	W550-L554 PolarHBondContact O-N 3.41Å; W550-L554 VanDerWaalsContact O-N 3.14Å; R551-L554 PolarHBondContact O-N 2.93Å; L554-E556 VanDerWaalsContact C-N 3.32Å; L554-E556 PolarHBondContact O-N 2.89Å; L554-G558 VanDerWaalsContact O-CA 3.25Å; L554-G558 WeakPolarHBondContact O-CA 3.47Å; L554-G558 PolarHBondContact O-N 3Å; L554-P559 HydrophobicContact CD1-CG 4.24Å; L554-F562 HydrophobicContact CB-CD2 3.65Å; L554-F562 HydrophobicContact CB-CE2 3.94Å; L554-F562 HydrophobicContact CB-CG 4.13Å; L554-F562 HydrophobicContact CD1-CB 3.79Å; L554-F562 HydrophobicContact CD1-CD1 4.14Å; L554-F562 HydrophobicContact CD1-CD2 4.26Å; L554-F562 HydrophobicContact CD1-CG 3.82Å; L554-F562 HydrophobicContact CG-CD2 4.45Å; L554-F562 HydrophobicContact CG-CG 4.48Å; L554-D681 HydrophobicContact CD2-CB 3.63Å; L554-V708 HydrophobicContact CD1-CG2 3.43Å; L554-V708 VanDerWaalsContact CD1-CG2 3.43Å; L554-V708 HydrophobicContact CD2-CG2 3.75Å; L554-V708 HydrophobicContact CG-CG2 4.25Å
555	L	96.4	Very high	95.8	Very high	107 Å²	107	63.3 Å²	63.3	56%	0.56	32%	0.315	S	S	*	.	H	α-helix	trans	-67	-33.7	179.6	-67.3	179.3	0	0	0	112.8	R551 N552 M553	R551-L555 HydrophobicContact CG-CD1 4.25Å; R551-L555 HydrophobicContact CG-CG 4.26Å; R551-L555 WeakPolarHBondContact O-CG 3.4Å; R551-L555 PolarHBondContact O-N 3.28Å; N552-L555 PolarHBondContact O-N 2.89Å; M553-L555 PolarHBondContact O-N 2.98Å
556	E	96.6	Very high	96.3	Very high	117 Å²	117	54.9 Å²	54.9	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-79.9	-34.7	-178.3	-74.4	168.6	-170.1	0	0	113.3	R548 N552 M553 L554	R548-E556 IonicContact CZ-OE1 3.75Å; R548-E556 VanDerWaalsContact CZ-OE1 3.22Å; R548-E556 IonicContact CZ-OE2 2.75Å; R548-E556 IonicContact NH1-OE1 2.89Å; R548-E556 PolarHBondContact NH1-OE1 2.96Å; R548-E556 IonicContact NH2-OE1 2.67Å; R548-E556 PolarHBondContact NH2-OE1 3.47Å; R548-E556 IonicContact NH2-OE2 3.77Å; R548-E556 PolarHBondContact NH2-OE2 2.95Å; N552-E556 WeakPolarHBondContact O-CB 3.29Å; N552-E556 WeakPolarHBondContact O-CG 3.39Å; N552-E556 PolarHBondContact O-N 2.89Å; M553-E556 PolarHBondContact O-N 3.15Å; L554-E556 VanDerWaalsContact C-N 3.32Å; L554-E556 PolarHBondContact O-N 2.89Å
557	K	96.1	Very high	96.6	Very high	130 Å²	130	56.2 Å²	56.2	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-118.7	-11.8	-170.8	-57	-170.7	175.7	-177.7	0	115.2	M553 E561	M553-K557 HydrophobicContact CG-CD 4.26Å; M553-K557 PolarHBondContact O-N 3.19Å; K557-E561 HydrophobicContact CB-CB 3.61Å; K557-E561 HydrophobicContact CB-CG 4.24Å; K557-E561 HydrophobicContact CD-CB 4.3Å
558	G	95.8	Very high	96.7	Very high	22 Å²	22	58.4 Å²	58.4	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	78.7	171.8	-179.7	0	0	0	0	0	115	L554 V560 E561 F562	L554-G558 VanDerWaalsContact O-CA 3.25Å; L554-G558 WeakPolarHBondContact O-CA 3.47Å; L554-G558 PolarHBondContact O-N 3Å; G558-V560 PolarHBondContact O-N 3.27Å; G558-E561 PolarHBondContact O-N 2.83Å; G558-F562 WeakPolarHBondContact O-CB 3.46Å; G558-F562 PolarHBondContact O-N 3.39Å
559	P	96.5	Very high	96.7	Very high	29 Å²	29	53.9 Å²	53.9	19%	0.188	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-36.1	-170.7	-29.8	37.4	0	0	0	116.2	L554 F562 S563 V708	L554-P559 HydrophobicContact CD1-CG 4.24Å; P559-F562 WeakPolarHBondContact O-CB 3.32Å; P559-F562 PolarHBondContact O-N 2.81Å; P559-S563 WeakPolarHBondContact O-CB 3.4Å; P559-S563 PolarHBondContact O-N 3.44Å; P559-V708 HydrophobicContact CB-CG2 4.06Å; P559-V708 HydrophobicContact CG-CG2 4.24Å
560	V	95.7	Very high	96.5	Very high	82 Å²	82	57.6 Å²	57.6	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-69.2	-47.4	-177.7	175.8	0	0	0	0	111.4	G558 F562 S563 K564	G558-V560 PolarHBondContact O-N 3.27Å; V560-F562 VanDerWaalsContact C-N 3.3Å; V560-S563 WeakPolarHBondContact O-CB 3.49Å; V560-S563 PolarHBondContact O-N 2.9Å; V560-K564 PolarHBondContact O-N 3.35Å; V560-K564 VanDerWaalsContact O-N 3.13Å
561	E	96.7	Very high	96.3	Very high	79 Å²	79	59.7 Å²	59.7	37%	0.369	31%	0.312	S	S	.	.	H	α-helix	trans	-71	-30.9	176.9	-66.2	-57	123.7	0	0	111.6	K557 G558 K564 A565	K557-E561 HydrophobicContact CB-CB 3.61Å; K557-E561 HydrophobicContact CB-CG 4.24Å; K557-E561 HydrophobicContact CD-CB 4.3Å; G558-E561 PolarHBondContact O-N 2.83Å; E561-K564 PolarHBondContact O-N 3.11Å; E561-K564 IonicContact OE1-NZ 3.51Å; E561-K564 PolarHBondContact OE1-NZ 2.91Å; E561-A565 VanDerWaalsContact O-CB 3.31Å; E561-A565 WeakPolarHBondContact O-CB 3.44Å; E561-A565 PolarHBondContact O-N 3.34Å
562	F	97.5	Very high	96.3	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-46.5	170.2	-175.8	-106.4	0	0	0	111.6	W550 M553 L554 G558 P559 V560 A565 I566 F611 P647 I682 V708	W550-F562 HydrophobicContact CB-CE2 4.11Å; W550-F562 HydrophobicContact CE3-CD2 4.41Å; W550-F562 AromaticContact CE3-CE2 3.76Å; W550-F562 HydrophobicContact CE3-CE2 3.76Å; W550-F562 HydrophobicContact CE3-CZ 4.33Å; W550-F562 WeakPolarHBondContact O-CE2 3.47Å; M553-F562 HydrophobicContact CE-CD2 3.7Å; M553-F562 HydrophobicContact CE-CE2 4.13Å; L554-F562 HydrophobicContact CB-CD2 3.65Å; L554-F562 HydrophobicContact CB-CE2 3.94Å; L554-F562 HydrophobicContact CB-CG 4.13Å; L554-F562 HydrophobicContact CD1-CB 3.79Å; L554-F562 HydrophobicContact CD1-CD1 4.14Å; L554-F562 HydrophobicContact CD1-CD2 4.26Å; L554-F562 HydrophobicContact CD1-CG 3.82Å; L554-F562 HydrophobicContact CG-CD2 4.45Å; L554-F562 HydrophobicContact CG-CG 4.48Å; G558-F562 WeakPolarHBondContact O-CB 3.46Å; G558-F562 PolarHBondContact O-N 3.39Å; P559-F562 WeakPolarHBondContact O-CB 3.32Å; P559-F562 PolarHBondContact O-N 2.81Å; V560-F562 VanDerWaalsContact C-N 3.3Å; F562-A565 PolarHBondContact O-N 2.97Å; F562-I566 HydrophobicContact CD1-CD1 3.83Å; F562-I566 HydrophobicContact CE1-CD1 3.69Å; F562-I566 HydrophobicContact CE1-CG1 4.49Å; F562-I566 HydrophobicContact CZ-CD1 4.31Å; F562-I566 WeakPolarHBondContact O-CG1 3.44Å; F562-I566 PolarHBondContact O-N 2.88Å; F562-F611 AromaticContact CE1-CE2 3.61Å; F562-F611 HydrophobicContact CE1-CE2 3.61Å; F562-F611 AromaticContact CE1-CZ 3.92Å; F562-F611 HydrophobicContact CE1-CZ 3.92Å; F562-F611 HydrophobicContact CE2-CE2 4.46Å; F562-F611 HydrophobicContact CZ-CD2 4.17Å; F562-F611 AromaticContact CZ-CE2 3.4Å; F562-F611 HydrophobicContact CZ-CE2 3.4Å; F562-F611 HydrophobicContact CZ-CZ 4.05Å; F562-P647 HydrophobicContact CZ-CG 4.21Å; F562-I682 HydrophobicContact CE1-CD1 4.16Å; F562-I682 HydrophobicContact CZ-CD1 4.37Å; F562-V708 HydrophobicContact CD1-CG1 4.36Å; F562-V708 HydrophobicContact CD1-CG2 4Å; F562-V708 HydrophobicContact CE1-CG2 4.32Å
563	S	97.2	Very high	96.3	Very high	16 Å²	16	56.4 Å²	56.4	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-47.7	174.9	172.7	0	0	0	0	112.7	P559 V560 A565 I566 R567 H745 P776	P559-S563 WeakPolarHBondContact O-CB 3.4Å; P559-S563 PolarHBondContact O-N 3.44Å; V560-S563 WeakPolarHBondContact O-CB 3.49Å; V560-S563 PolarHBondContact O-N 2.9Å; S563-A565 VanDerWaalsContact C-N 3.3Å; S563-A565 PolarHBondContact O-N 3.17Å; S563-I566 WeakPolarHBondContact O-CB 3.35Å; S563-I566 PolarHBondContact O-N 3.39Å; S563-R567 PolarHBondContact O-N 2.81Å; S563-R567 VanDerWaalsContact O-N 3.11Å; S563-H745 WeakPolarHBondContact CB-O 3.11Å; S563-H745 PolarHBondContact OG-O 3.34Å; S563-P776 WeakPolarHBondContact O-CG 3.36Å; S563-P776 VanDerWaalsContact OG-CD 3.26Å; S563-P776 WeakPolarHBondContact OG-CD 3.5Å; S563-P776 WeakPolarHBondContact OG-CG 3.27Å
564	K	97.2	Very high	96.5	Very high	115 Å²	115	54.7 Å²	54.7	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-60.4	-41.3	176.1	-67.7	175.3	-172.6	167.7	0	112.3	V560 E561 I566 R567 S568	V560-K564 PolarHBondContact O-N 3.35Å; V560-K564 VanDerWaalsContact O-N 3.13Å; E561-K564 PolarHBondContact O-N 3.11Å; E561-K564 IonicContact OE1-NZ 3.51Å; E561-K564 PolarHBondContact OE1-NZ 2.91Å; K564-I566 VanDerWaalsContact C-N 3.34Å; K564-I566 PolarHBondContact O-N 3.08Å; K564-R567 PolarHBondContact O-N 2.65Å; K564-S568 WeakPolarHBondContact O-CB 3.03Å; K564-S568 PolarHBondContact O-N 2.83Å; K564-S568 PolarHBondContact O-OG 2.82Å
565	A	97.4	Very high	96.6	Very high	21 Å²	21	54.1 Å²	54.1	17%	0.174	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-39	-180	0	0	0	0	0	112.1	W550 M553 E561 F562 S563 S568 H569	W550-A565 HydrophobicContact CZ3-CB 4.47Å; M553-A565 HydrophobicContact CE-CB 3.28Å; M553-A565 HydrophobicContact SD-CB 3.4Å; M553-A565 WeakPolarHBondContact SD-CB 3.37Å; E561-A565 VanDerWaalsContact O-CB 3.31Å; E561-A565 WeakPolarHBondContact O-CB 3.44Å; E561-A565 PolarHBondContact O-N 3.34Å; F562-A565 PolarHBondContact O-N 2.97Å; S563-A565 VanDerWaalsContact C-N 3.3Å; S563-A565 PolarHBondContact O-N 3.17Å; A565-S568 WeakPolarHBondContact CA-OG 3.49Å; A565-S568 PolarHBondContact O-N 3.41Å; A565-S568 PolarHBondContact O-OG 3.16Å; A565-H569 PolarHBondContact O-N 3.49Å; A565-H569 VanDerWaalsContact O-N 3.13Å
566	I	97.7	Very high	96.7	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-57.7	-53.7	171.7	-66	160.7	0	0	0	110	W550 F562 S563 K564 S568 H569 L573 F611 I746 P776 D801 I802	W550-I566 HydrophobicContact CZ3-CG1 3.97Å; F562-I566 HydrophobicContact CD1-CD1 3.83Å; F562-I566 HydrophobicContact CE1-CD1 3.69Å; F562-I566 HydrophobicContact CE1-CG1 4.49Å; F562-I566 HydrophobicContact CZ-CD1 4.31Å; F562-I566 WeakPolarHBondContact O-CG1 3.44Å; F562-I566 PolarHBondContact O-N 2.88Å; S563-I566 WeakPolarHBondContact O-CB 3.35Å; S563-I566 PolarHBondContact O-N 3.39Å; K564-I566 VanDerWaalsContact C-N 3.34Å; K564-I566 PolarHBondContact O-N 3.08Å; I566-S568 PolarHBondContact O-N 2.77Å; I566-H569 WeakPolarHBondContact O-CB 3.48Å; I566-H569 PolarHBondContact O-N 3.04Å; I566-L573 HydrophobicContact CB-CD1 4.46Å; I566-L573 HydrophobicContact CG1-CD1 4.34Å; I566-L573 HydrophobicContact CG2-CD1 3.99Å; I566-F611 HydrophobicContact CD1-CE2 3.46Å; I566-F611 VanDerWaalsContact CD1-CE2 3.46Å; I566-F611 HydrophobicContact CD1-CZ 3.89Å; I566-F611 HydrophobicContact CG1-CD2 4.39Å; I566-F611 HydrophobicContact CG1-CE2 3.76Å; I566-I746 HydrophobicContact CD1-CD1 3.62Å; I566-I746 HydrophobicContact CD1-CG1 4.13Å; I566-P776 HydrophobicContact CB-CB 4.28Å; I566-P776 HydrophobicContact CB-CG 4.05Å; I566-P776 HydrophobicContact CG2-CB 3.68Å; I566-P776 HydrophobicContact CG2-CG 3.99Å; I566-D801 HydrophobicContact CG2-CB 3.86Å; I566-I802 HydrophobicContact CD1-CD1 4.26Å; I566-I802 HydrophobicContact CG2-CD1 3.86Å; I566-I802 HydrophobicContact CG2-CG1 4Å
567	R	96.9	Very high	96.8	Very high	84 Å²	84	43.4 Å²	43.4	32%	0.317	23%	0.233	S	C	.	.	H	α-helix	trans	-61.2	-33.7	-177.4	-177.2	65.2	-157.9	101.5	9.5	112.8	S563 K564 H569 R769 P773 D774 P776 D801	S563-R567 PolarHBondContact O-N 2.81Å; S563-R567 VanDerWaalsContact O-N 3.11Å; K564-R567 PolarHBondContact O-N 2.65Å; R567-H569 VanDerWaalsContact C-N 3.29Å; R567-R769 VanDerWaalsContact NE-NH1 3.12Å; R567-P773 PolarHBondContact NE-O 2.87Å; R567-D774 WeakPolarHBondContact CG-O 3.35Å; R567-P776 HydrophobicContact CB-CG 4.16Å; R567-D801 IonicContact CZ-OD1 2.78Å; R567-D801 IonicContact NH1-OD1 3.55Å; R567-D801 PolarHBondContact NH1-OD1 3.35Å
568	S	95.9	Very high	96.9	Very high	93 Å²	93	37.2 Å²	37.2	65%	0.65	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.3	176.9	70.7	0	0	0	0	114.2	K564 A565 I566	K564-S568 WeakPolarHBondContact O-CB 3.03Å; K564-S568 PolarHBondContact O-N 2.83Å; K564-S568 PolarHBondContact O-OG 2.82Å; A565-S568 WeakPolarHBondContact CA-OG 3.49Å; A565-S568 PolarHBondContact O-N 3.41Å; A565-S568 PolarHBondContact O-OG 3.16Å; I566-S568 PolarHBondContact O-N 2.77Å
569	H	95.5	Very high	97	Very high	61 Å²	61	36.2 Å²	36.2	28%	0.282	20%	0.195	S	C	.	.			trans	-73.6	128.9	-178.3	-163.4	62.7	0	0	0	109.8	W550 A565 I566 R567 H571 L573	W550-H569 HydrophobicContact CH2-CB 4.12Å; W550-H569 AromaticContact CH2-CG 3.97Å; W550-H569 AromaticContact CZ2-CE1 3.97Å; W550-H569 AromaticContact CZ2-CG 3.95Å; W550-H569 AromaticContact CZ2-ND1 3.85Å; A565-H569 PolarHBondContact O-N 3.49Å; A565-H569 VanDerWaalsContact O-N 3.13Å; I566-H569 WeakPolarHBondContact O-CB 3.48Å; I566-H569 PolarHBondContact O-N 3.04Å; R567-H569 VanDerWaalsContact C-N 3.29Å; H569-H571 VanDerWaalsContact C-N 3.26Å; H569-H571 PolarHBondContact CD2-O 2.96Å; H569-H571 VanDerWaalsContact CD2-O 3.3Å; H569-H571 PolarHBondContact O-N 2.91Å; H569-L573 VanDerWaalsContact CD2-CD2 3.41Å; H569-L573 WeakPolarHBondContact CD2-CD2 3.33Å
570	P	91.9	Very high	97	Very high	91 Å²	91	34.9 Å²	34.9	59%	0.591	19%	0.186	S	C	*	.	S	Bend	trans	-76	-14.4	-174.5	29.5	-35.8	0	0	0	113.9
571	H	93.5	Very high	97	Very high	77 Å²	77	31.1 Å²	31.1	36%	0.356	16%	0.164	S	C	.	.	S	Bend	trans	-110.7	156.4	-169.4	-69.3	-39	0	0	0	111.5	H569 L573 D832	H569-H571 VanDerWaalsContact C-N 3.26Å; H569-H571 PolarHBondContact CD2-O 2.96Å; H569-H571 VanDerWaalsContact CD2-O 3.3Å; H569-H571 PolarHBondContact O-N 2.91Å; H571-L573 PolarHBondContact O-N 3.06Å; H571-D832 WeakPolarHBondContact CB-O 3.45Å; H571-D832 VanDerWaalsContact CG-O 3.26Å; H571-D832 PolarHBondContact ND1-O 2.77Å
572	L	97.7	Very high	97	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.146	C	C	.	.			trans	-72.3	123.6	175	-175.8	68.9	0	0	0	109.9	A796 V800 V803 L822 L826 N831 D832 T833	L572-A796 HydrophobicContact CD1-CB 4.45Å; L572-A796 HydrophobicContact CD2-CB 4.02Å; L572-V800 HydrophobicContact CD1-CG1 3.75Å; L572-V803 HydrophobicContact CD1-CG1 4.15Å; L572-V803 HydrophobicContact CD1-CG2 4.45Å; L572-V803 HydrophobicContact CD2-CG1 4.42Å; L572-V803 HydrophobicContact CD2-CG2 3.78Å; L572-V803 HydrophobicContact CG-CG2 4.16Å; L572-L822 HydrophobicContact CD2-CD2 4.24Å; L572-L826 HydrophobicContact CB-CD1 4.41Å; L572-L826 HydrophobicContact CD2-CD1 3.36Å; L572-N831 HydrophobicContact CB-CB 4.46Å; L572-N831 WeakPolarHBondContact CB-O 3.3Å; L572-D832 PolarHBondContact N-O 3.29Å; L572-T833 HydrophobicContact CB-CG2 4.44Å; L572-T833 WeakPolarHBondContact O-CA 3.4Å
573	L	98.3	Very high	96.8	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	148.8	179	-70.1	177	0	0	0	112.4	W550 I566 H569 H571 F611 D801 I802 V803	W550-L573 HydrophobicContact CH2-CD1 3.85Å; W550-L573 HydrophobicContact CH2-CD2 4.36Å; W550-L573 HydrophobicContact CZ2-CD1 3.83Å; W550-L573 HydrophobicContact CZ2-CD2 3.53Å; W550-L573 HydrophobicContact CZ2-CG 4.32Å; W550-L573 HydrophobicContact CZ3-CD1 4.32Å; I566-L573 HydrophobicContact CB-CD1 4.46Å; I566-L573 HydrophobicContact CG1-CD1 4.34Å; I566-L573 HydrophobicContact CG2-CD1 3.99Å; H569-L573 VanDerWaalsContact CD2-CD2 3.41Å; H569-L573 WeakPolarHBondContact CD2-CD2 3.33Å; H571-L573 PolarHBondContact O-N 3.06Å; L573-F611 HydrophobicContact CB-CB 3.86Å; L573-F611 HydrophobicContact CB-CG 4.33Å; L573-F611 HydrophobicContact CD1-CB 4.42Å; L573-F611 HydrophobicContact CD1-CD2 3.94Å; L573-F611 HydrophobicContact CD1-CG 4.4Å; L573-F611 HydrophobicContact CD2-CB 4.37Å; L573-F611 HydrophobicContact CG-CB 4.45Å; L573-D801 WeakPolarHBondContact CB-O 3.31Å; L573-D801 PolarHBondContact N-O 2.83Å; L573-I802 HydrophobicContact CB-CB 4.26Å; L573-I802 HydrophobicContact CB-CG1 3.84Å; L573-I802 HydrophobicContact CB-CG2 4.15Å; L573-I802 HydrophobicContact CD1-CG1 4.18Å; L573-I802 WeakPolarHBondContact O-CA 3.47Å; L573-V803 PolarHBondContact O-N 2.84Å
574	I	98.5	Very high	96.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.3	-171.9	-62.1	-66.2	0	0	0	111	L610 F611 V803 V805 M819 L822 T833 L835	I574-L610 HydrophobicContact CB-CD2 4.33Å; I574-L610 HydrophobicContact CG2-CD2 3.89Å; I574-F611 WeakPolarHBondContact O-CB 3.43Å; I574-F611 PolarHBondContact O-N 3.28Å; I574-V803 HydrophobicContact CD1-CG2 3.63Å; I574-V805 HydrophobicContact CD1-CG2 4.48Å; I574-V805 HydrophobicContact CG2-CG2 3.4Å; I574-V805 VanDerWaalsContact CG2-CG2 3.4Å; I574-M819 HydrophobicContact CG2-CE 4.37Å; I574-L822 HydrophobicContact CD1-CD2 3.71Å; I574-T833 HydrophobicContact CD1-CG2 3.91Å; I574-T833 HydrophobicContact CG1-CG2 3.87Å; I574-L835 HydrophobicContact CB-CD1 4.07Å; I574-L835 HydrophobicContact CG1-CD1 3.98Å; I574-L835 HydrophobicContact CG2-CD1 4.14Å
575	T	98.8	Very high	96.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.2	163.7	-66.2	0	0	0	0	109.6	T577 F611 S612 E614 H778 V803 D804 V805	T575-T577 HydrophobicContact CG2-CG2 4.39Å; T575-F611 WeakPolarHBondContact OG1-CD1 3.34Å; T575-S612 WeakPolarHBondContact CA-O 3.48Å; T575-S612 WeakPolarHBondContact CG2-OG 3.41Å; T575-S612 PolarHBondContact OG1-OG 3.19Å; T575-E614 HydrophobicContact CG2-CB 4.08Å; T575-H778 PolarHBondContact OG1-CE1 2.86Å; T575-H778 PolarHBondContact OG1-NE2 3.4Å; T575-H778 VanDerWaalsContact OG1-NE2 3.16Å; T575-V803 PolarHBondContact N-O 3.49Å; T575-D804 VanDerWaalsContact CB-OD1 3.22Å; T575-D804 WeakPolarHBondContact CB-OD1 3.41Å; T575-D804 WeakPolarHBondContact CG2-OD1 3.36Å; T575-V805 PolarHBondContact O-N 3.42Å
576	D	98.7	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.7	172	179.4	21	0	0	0	110.7	T578 L610 S612 E614 M819 Y843	D576-T578 WeakPolarHBondContact OD1-CB 3.4Å; D576-T578 PolarHBondContact OD1-N 3.2Å; D576-T578 PolarHBondContact OD1-OG1 3.37Å; D576-L610 HydrophobicContact CB-CD1 4.27Å; D576-L610 HydrophobicContact CB-CD2 4.28Å; D576-S612 PolarHBondContact N-O 3.38Å; D576-E614 PolarHBondContact O-N 3.33Å; D576-M819 HydrophobicContact CB-CE 3.85Å; D576-Y843 VanDerWaalsContact OD2-CE1 3.26Å; D576-Y843 WeakPolarHBondContact OD2-CE1 3.49Å; D576-Y843 PolarHBondContact OD2-OH 3.28Å
577	T	98.6	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.			trans	-97.1	4	177.4	69.6	0	0	0	0	113.7	T575 M579 R580 D581 A582 E614 D804 V805 Q816	T575-T577 HydrophobicContact CG2-CG2 4.39Å; T577-M579 PolarHBondContact O-N 3.39Å; T577-M579 VanDerWaalsContact O-N 3.11Å; T577-R580 CarbonylContact O-C 3.48Å; T577-R580 PolarHBondContact O-N 3.48Å; T577-D581 PolarHBondContact O-N 3.1Å; T577-A582 PolarHBondContact O-N 3.31Å; T577-E614 HydrophobicContact CG2-CB 4.35Å; T577-D804 HydrophobicContact CG2-CB 3.72Å; T577-D804 WeakPolarHBondContact CG2-OD2 3.45Å; T577-V805 PolarHBondContact N-O 3.22Å; T577-V805 PolarHBondContact OG1-O 3.44Å; T577-Q816 HydrophobicContact CG2-CG 4.06Å; T577-Q816 WeakPolarHBondContact OG1-CG 3.43Å; T577-Q816 PolarHBondContact OG1-OE1 3.11Å
578	T	98.4	Very high	95.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-55.8	-34.8	-174.9	-56.6	0	0	0	0	112.3	D576 H583 V807 M810 W847	D576-T578 WeakPolarHBondContact OD1-CB 3.4Å; D576-T578 PolarHBondContact OD1-N 3.2Å; D576-T578 PolarHBondContact OD1-OG1 3.37Å; T578-H583 PolarHBondContact O-CD2 2.85Å; T578-V807 HydrophobicContact CG2-CG1 3.73Å; T578-V807 PolarHBondContact OG1-N 3.29Å; T578-M810 HydrophobicContact CG2-CB 3.95Å; T578-M810 HydrophobicContact CG2-CG 3.91Å; T578-W847 HydrophobicContact CG2-CD2 3.77Å; T578-W847 VanDerWaalsContact CG2-CE2 3.41Å; T578-W847 HydrophobicContact CG2-CE3 4.44Å; T578-W847 HydrophobicContact CG2-CG 4.03Å; T578-W847 HydrophobicContact CG2-CZ2 3.86Å
579	M	98	Very high	95.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-84.2	-3.7	-177.9	-61.2	-163.4	170	0	0	114.9	T577 H583 L596 I599 L603 I613 E614 N615 L639	T577-M579 PolarHBondContact O-N 3.39Å; T577-M579 VanDerWaalsContact O-N 3.11Å; M579-H583 VanDerWaalsContact C-CD2 3.43Å; M579-H583 VanDerWaalsContact C-NE2 3.27Å; M579-H583 PolarHBondContact O-CD2 3.09Å; M579-H583 PolarHBondContact O-NE2 3.39Å; M579-L596 HydrophobicContact CB-CD2 3.89Å; M579-L596 HydrophobicContact CE-CD2 4.4Å; M579-L596 HydrophobicContact CG-CD2 3.66Å; M579-L596 HydrophobicContact SD-CD2 4.09Å; M579-I599 HydrophobicContact CE-CG2 3.84Å; M579-L603 HydrophobicContact CE-CD1 3.39Å; M579-L603 HydrophobicContact SD-CD1 4.48Å; M579-I613 HydrophobicContact CB-CG2 4.18Å; M579-I613 HydrophobicContact CG-CG2 4.02Å; M579-I613 HydrophobicContact SD-CG2 3.82Å; M579-E614 CarbonylContact C-O 3.29Å; M579-N615 HydrophobicContact CB-CB 3.66Å; M579-N615 HydrophobicContact SD-CB 4.28Å; M579-L639 HydrophobicContact SD-CD2 4.41Å
580	R	97.1	Very high	95.2	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	7%	0.066	C	C	.	.	I	π-helix	trans	-137.7	-78.3	179.7	-160.9	-71.6	-68.2	169.8	0.8	112.4	T577 H583 Q584 E614 W616 T620	T577-R580 CarbonylContact O-C 3.48Å; T577-R580 PolarHBondContact O-N 3.48Å; R580-H583 WeakPolarHBondContact CA-NE2 3.33Å; R580-H583 PolarHBondContact O-CD2 2.93Å; R580-H583 VanDerWaalsContact O-CD2 3.28Å; R580-H583 PolarHBondContact O-NE2 3.16Å; R580-Q584 VanDerWaalsContact O-CB 3.23Å; R580-Q584 WeakPolarHBondContact O-CB 3.06Å; R580-Q584 PolarHBondContact O-N 3.49Å; R580-Q584 VanDerWaalsContact O-N 3.13Å; R580-E614 HydrophobicContact CB-CG 4.19Å; R580-E614 WeakPolarHBondContact CB-O 3.39Å; R580-E614 HydrophobicContact CG-CG 4.46Å; R580-E614 IonicContact CZ-OE1 3.37Å; R580-E614 IonicContact CZ-OE2 3.77Å; R580-E614 PolarHBondContact N-O 3.41Å; R580-E614 VanDerWaalsContact NE-CD 3.25Å; R580-E614 IonicContact NE-OE1 2.8Å; R580-E614 IonicContact NE-OE2 3.71Å; R580-E614 PolarHBondContact NE-OE2 3.44Å; R580-E614 IonicContact NH2-OE1 3.73Å; R580-E614 PolarHBondContact NH2-OE1 2.96Å; R580-E614 IonicContact NH2-OE2 3.03Å; R580-E614 PolarHBondContact NH2-OE2 3.13Å; R580-W616 WeakPolarHBondContact CG-O 3.44Å; R580-T620 HydrophobicContact CG-CG2 3.91Å
581	D	95.5	Very high	95.4	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	4%	0.038	C	C	.	.	I	π-helix	trans	-74	-31.9	-167.6	-143.8	-0.1	0	0	0	113.6	T577 Q584 S585 K750 H780 H782	T577-D581 PolarHBondContact O-N 3.1Å; D581-Q584 PolarHBondContact O-N 3.43Å; D581-S585 WeakPolarHBondContact O-CB 3.28Å; D581-S585 PolarHBondContact O-N 3.22Å; D581-S585 PolarHBondContact O-OG 2.98Å; D581-K750 IonicContact OD2-NZ 2.91Å; D581-H780 IonicContact OD2-CE1 2.62Å; D581-H780 PolarHBondContact OD2-CE1 2.94Å; D581-H780 IonicContact OD2-NE2 3.21Å; D581-H782 IonicContact OD2-NE2 3.99Å
582	A	96	Very high	95.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	I	π-helix	trans	-62.7	-54.1	-178.4	0	0	0	0	0	111.6	T577 Q584 S585 L586 A806 M810 S815	T577-A582 PolarHBondContact O-N 3.31Å; A582-Q584 VanDerWaalsContact C-N 3.32Å; A582-Q584 PolarHBondContact O-N 3.44Å; A582-S585 PolarHBondContact O-N 3.38Å; A582-S585 VanDerWaalsContact O-N 3.16Å; A582-L586 WeakPolarHBondContact O-CB 3.16Å; A582-L586 WeakPolarHBondContact O-CG 3.45Å; A582-L586 PolarHBondContact O-N 3.41Å; A582-A806 HydrophobicContact CB-CB 3.86Å; A582-M810 HydrophobicContact CB-CB 4.22Å; A582-M810 HydrophobicContact CB-CE 4.41Å; A582-M810 WeakPolarHBondContact CB-O 3.49Å; A582-S815 VanDerWaalsContact CA-OG 3.29Å; A582-S815 WeakPolarHBondContact CA-OG 3.38Å; A582-S815 WeakPolarHBondContact CB-OG 3.12Å
583	H	94.7	Very high	95.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-74.2	-23	177.6	74.6	92.5	0	0	0	112.9	T578 M579 R580 S585 L587 A588 T589 V591 M810	T578-H583 PolarHBondContact O-CD2 2.85Å; M579-H583 VanDerWaalsContact C-CD2 3.43Å; M579-H583 VanDerWaalsContact C-NE2 3.27Å; M579-H583 PolarHBondContact O-CD2 3.09Å; M579-H583 PolarHBondContact O-NE2 3.39Å; R580-H583 WeakPolarHBondContact CA-NE2 3.33Å; R580-H583 PolarHBondContact O-CD2 2.93Å; R580-H583 VanDerWaalsContact O-CD2 3.28Å; R580-H583 PolarHBondContact O-NE2 3.16Å; H583-S585 VanDerWaalsContact C-N 3.27Å; H583-S585 PolarHBondContact O-N 3.46Å; H583-L587 HydrophobicContact CB-CB 4.24Å; H583-L587 HydrophobicContact CB-CD1 4.19Å; H583-L587 CarbonylContact O-C 3.34Å; H583-L587 VanDerWaalsContact O-C 3.23Å; H583-L587 VanDerWaalsContact O-CA 3.31Å; H583-L587 WeakPolarHBondContact O-CA 3.29Å; H583-L587 WeakPolarHBondContact O-CB 3.29Å; H583-L587 PolarHBondContact O-N 3.2Å; H583-A588 PolarHBondContact O-N 3.32Å; H583-T589 VanDerWaalsContact ND1-CA 3.3Å; H583-T589 WeakPolarHBondContact ND1-CA 3.12Å; H583-T589 PolarHBondContact O-N 3.33Å; H583-V591 HydrophobicContact CB-CB 3.98Å; H583-V591 HydrophobicContact CB-CG2 3.39Å; H583-M810 HydrophobicContact CB-CE 3.74Å
584	Q	92.1	Very high	95.6	Very high	26 Å²	26	6.3 Å²	6.3	12%	0.121	3%	0.03	C	C	.	.	H	α-helix	trans	-61.6	-38.9	167.6	176.4	172.6	-39.4	0	0	111.5	R580 D581 A582 T589 A619	R580-Q584 VanDerWaalsContact O-CB 3.23Å; R580-Q584 WeakPolarHBondContact O-CB 3.06Å; R580-Q584 PolarHBondContact O-N 3.49Å; R580-Q584 VanDerWaalsContact O-N 3.13Å; D581-Q584 PolarHBondContact O-N 3.43Å; A582-Q584 VanDerWaalsContact C-N 3.32Å; A582-Q584 PolarHBondContact O-N 3.44Å; Q584-T589 WeakPolarHBondContact CA-OG1 3.26Å; Q584-T589 HydrophobicContact CB-CG2 4.31Å; Q584-T589 WeakPolarHBondContact CG-OG1 3.31Å; Q584-A619 HydrophobicContact CG-CB 4.42Å
585	S	91.5	Very high	95.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-81.5	-42.4	-177.8	-55.7	0	0	0	0	113	D581 A582 H583 T814 T881	D581-S585 WeakPolarHBondContact O-CB 3.28Å; D581-S585 PolarHBondContact O-N 3.22Å; D581-S585 PolarHBondContact O-OG 2.98Å; A582-S585 PolarHBondContact O-N 3.38Å; A582-S585 VanDerWaalsContact O-N 3.16Å; H583-S585 VanDerWaalsContact C-N 3.27Å; H583-S585 PolarHBondContact O-N 3.46Å; S585-T814 WeakPolarHBondContact CB-O 3.38Å; S585-T814 PolarHBondContact O-OG1 2.94Å; S585-T814 PolarHBondContact OG-O 3.19Å; S585-T881 PolarHBondContact O-OG1 3.2Å
586	L	92.2	Very high	95.5	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-93.1	-33.4	-172.8	-61.9	175	0	0	0	114.3	A582 M810 L813 C859	A582-L586 WeakPolarHBondContact O-CB 3.16Å; A582-L586 WeakPolarHBondContact O-CG 3.45Å; A582-L586 PolarHBondContact O-N 3.41Å; L586-M810 WeakPolarHBondContact CD1-O 3.43Å; L586-L813 HydrophobicContact CD2-CB 4.06Å; L586-L813 HydrophobicContact CD2-CD1 4.16Å; L586-C859 PolarHBondContact O-N 2.79Å; L586-C859 VanDerWaalsContact O-N 3.09Å
587	L	92.3	Very high	95.5	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.04	C	C	.	.	S	Bend	trans	-127.2	23.9	-165.9	-57.8	178.9	0	0	0	113	H583 T589 R590 V591 M810 R851 Y854 E858	H583-L587 HydrophobicContact CB-CB 4.24Å; H583-L587 HydrophobicContact CB-CD1 4.19Å; H583-L587 CarbonylContact O-C 3.34Å; H583-L587 VanDerWaalsContact O-C 3.23Å; H583-L587 VanDerWaalsContact O-CA 3.31Å; H583-L587 WeakPolarHBondContact O-CA 3.29Å; H583-L587 WeakPolarHBondContact O-CB 3.29Å; H583-L587 PolarHBondContact O-N 3.2Å; L587-T589 PolarHBondContact O-N 3.33Å; L587-R590 VanDerWaalsContact O-CB 3.3Å; L587-R590 WeakPolarHBondContact O-CB 3.33Å; L587-R590 VanDerWaalsContact O-CG 3.3Å; L587-R590 WeakPolarHBondContact O-CG 3.49Å; L587-R590 PolarHBondContact O-N 3.17Å; L587-V591 HydrophobicContact CD1-CG2 3.71Å; L587-M810 HydrophobicContact CD1-CE 3.74Å; L587-M810 HydrophobicContact CD1-SD 4.24Å; L587-M810 HydrophobicContact CG-CE 4.4Å; L587-R851 HydrophobicContact CD1-CG 4.39Å; L587-R851 HydrophobicContact CD2-CG 4.28Å; L587-Y854 HydrophobicContact CD1-CD2 4.3Å; L587-Y854 HydrophobicContact CD1-CG 4.1Å; L587-E858 WeakPolarHBondContact CD2-OE2 3.47Å
588	A	88.8	Confident	95.3	Very high	10 Å²	10	10.7 Å²	10.7	8%	0.083	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	35.9	-178.4	0	0	0	0	0	113.8	H583 R590	H583-A588 PolarHBondContact O-N 3.32Å; A588-R590 VanDerWaalsContact C-N 3.26Å; A588-R590 HydrophobicContact CB-CG 4.37Å; A588-R590 PolarHBondContact O-N 3.44Å; A588-R590 PolarHBondContact O-NH1 3.22Å
589	T	92.4	Very high	95.3	Very high	6 Å²	6	10.7 Å²	10.7	4%	0.037	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	25.3	-179.8	-33.5	0	0	0	0	114.1	H583 Q584 L587 A619 T620 V623	H583-T589 VanDerWaalsContact ND1-CA 3.3Å; H583-T589 WeakPolarHBondContact ND1-CA 3.12Å; H583-T589 PolarHBondContact O-N 3.33Å; Q584-T589 WeakPolarHBondContact CA-OG1 3.26Å; Q584-T589 HydrophobicContact CB-CG2 4.31Å; Q584-T589 WeakPolarHBondContact CG-OG1 3.31Å; L587-T589 PolarHBondContact O-N 3.33Å; T589-A619 HydrophobicContact CG2-CB 4.15Å; T589-T620 HydrophobicContact CG2-CG2 3.64Å; T589-V623 HydrophobicContact CG2-CB 4.27Å; T589-V623 HydrophobicContact CG2-CG1 4.32Å; T589-V623 HydrophobicContact CG2-CG2 4.45Å; T589-V623 WeakPolarHBondContact O-CG1 3.41Å
590	R	93.9	Very high	95.2	Very high	29 Å²	29	10.7 Å²	10.7	11%	0.109	5%	0.05	C	C	.	.			trans	-88.2	-3.8	-171.2	-64	-60.2	-173.7	-104.2	7.2	115.4	L587 A588 R592 F627 L628 Y854 F857	L587-R590 VanDerWaalsContact O-CB 3.3Å; L587-R590 WeakPolarHBondContact O-CB 3.33Å; L587-R590 VanDerWaalsContact O-CG 3.3Å; L587-R590 WeakPolarHBondContact O-CG 3.49Å; L587-R590 PolarHBondContact O-N 3.17Å; A588-R590 VanDerWaalsContact C-N 3.26Å; A588-R590 HydrophobicContact CB-CG 4.37Å; A588-R590 PolarHBondContact O-N 3.44Å; A588-R590 PolarHBondContact O-NH1 3.22Å; R590-R592 PolarHBondContact O-N 3.06Å; R590-F627 VanDerWaalsContact CZ-CD2 3.44Å; R590-F627 VanDerWaalsContact NH2-CE2 3.31Å; R590-F627 VanDerWaalsContact NH2-CG 3.3Å; R590-L628 HydrophobicContact CB-CD2 4.44Å; R590-L628 WeakPolarHBondContact O-CD2 3.16Å; R590-Y854 HydrophobicContact CB-CD1 4.16Å; R590-Y854 HydrophobicContact CB-CE1 4.46Å; R590-Y854 WeakPolarHBondContact O-CE1 3.42Å; R590-F857 HydrophobicContact CB-CD2 3.84Å; R590-F857 HydrophobicContact CB-CE2 4.15Å; R590-F857 HydrophobicContact CB-CG 4.07Å; R590-F857 HydrophobicContact CG-CB 4.3Å; R590-F857 HydrophobicContact CG-CD1 3.76Å; R590-F857 HydrophobicContact CG-CD2 3.91Å; R590-F857 HydrophobicContact CG-CE1 4Å; R590-F857 HydrophobicContact CG-CE2 4.16Å; R590-F857 HydrophobicContact CG-CG 3.69Å; R590-F857 HydrophobicContact CG-CZ 4.19Å
591	V	97.5	Very high	95.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.056	C	C	.	.			trans	-62.6	123.6	178.9	172.8	0	0	0	0	110.5	H583 L587 L596 R635 W847 Y854	H583-V591 HydrophobicContact CB-CB 3.98Å; H583-V591 HydrophobicContact CB-CG2 3.39Å; L587-V591 HydrophobicContact CD1-CG2 3.71Å; V591-L596 HydrophobicContact CG1-CD1 4.48Å; V591-L596 HydrophobicContact CG1-CD2 3.82Å; V591-L596 HydrophobicContact CG1-CG 3.95Å; V591-R635 PolarHBondContact O-NH1 2.69Å; V591-R635 PolarHBondContact O-NH2 3.47Å; V591-W847 HydrophobicContact CG1-CH2 3.69Å; V591-W847 HydrophobicContact CG1-CZ3 3.86Å; V591-W847 HydrophobicContact CG2-CZ3 4.25Å; V591-Y854 HydrophobicContact CG2-CD2 4.29Å; V591-Y854 HydrophobicContact CG2-CE1 4.46Å; V591-Y854 HydrophobicContact CG2-CE2 4.09Å
592	R	98	Very high	95.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.			trans	-87	155.7	-171.9	-67.3	176.8	64.2	-113.3	3.4	112	R590 F594 D595 L596 L628 Y854 V1039 D1040 L1042 T1044	R590-R592 PolarHBondContact O-N 3.06Å; R592-F594 PolarHBondContact O-N 2.98Å; R592-D595 PolarHBondContact O-N 2.92Å; R592-L596 WeakPolarHBondContact O-CG 3.4Å; R592-L596 PolarHBondContact O-N 3.43Å; R592-L628 HydrophobicContact CG-CD1 4.18Å; R592-L628 HydrophobicContact CG-CD2 3.98Å; R592-L628 HydrophobicContact CG-CG 4.47Å; R592-Y854 HydrophobicContact CG-CE1 4.44Å; R592-Y854 PolarHBondContact N-OH 3.21Å; R592-V1039 PolarHBondContact NH2-O 3.06Å; R592-D1040 PolarHBondContact NH2-O 3.34Å; R592-L1042 VanDerWaalsContact CZ-O 3.3Å; R592-L1042 PolarHBondContact NH1-O 2.92Å; R592-L1042 PolarHBondContact NH2-O 3.44Å; R592-T1044 PolarHBondContact NH1-OG1 3.47Å
593	T	98	Very high	95.2	Very high	4 Å²	4	12 Å²	12	3%	0.025	6%	0.057	C	C	.	.	H	α-helix	trans	-55.1	-37.3	175.6	-53.7	0	0	0	0	111.6	D595 L596 L597 E630 R635	T593-D595 PolarHBondContact O-N 3.03Å; T593-L596 PolarHBondContact O-N 2.79Å; T593-L597 HydrophobicContact CG2-CD1 3.78Å; T593-L597 HydrophobicContact CG2-CG 3.91Å; T593-L597 VanDerWaalsContact O-CG 3.31Å; T593-L597 WeakPolarHBondContact O-CG 3.33Å; T593-L597 PolarHBondContact O-N 3.49Å; T593-E630 WeakPolarHBondContact CB-OE2 3.28Å; T593-E630 PolarHBondContact N-OE2 3.3Å; T593-E630 PolarHBondContact OG1-OE2 2.8Å; T593-R635 HydrophobicContact CG2-CB 3.97Å; T593-R635 HydrophobicContact CG2-CG 3.96Å; T593-R635 WeakPolarHBondContact OG1-CB 3.42Å; T593-R635 PolarHBondContact OG1-NE 3.36Å
594	F	97.1	Very high	95.3	Very high	47 Å²	47	12 Å²	12	21%	0.206	6%	0.057	C	C	.	.	H	α-helix	trans	-50	-50.8	177.8	-174.8	-91.9	0	0	0	113.2	R592 R598 P1043	R592-F594 PolarHBondContact O-N 2.98Å; F594-R598 WeakPolarHBondContact O-CG 3.3Å; F594-R598 PolarHBondContact O-N 3.41Å; F594-P1043 HydrophobicContact CE1-CB 4.31Å; F594-P1043 HydrophobicContact CZ-CB 4.22Å; F594-P1043 HydrophobicContact CZ-CG 4.22Å
595	D	97.8	Very high	95.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-77.9	-29.3	-176.9	-61.5	-48.5	0	0	0	112.1	R592 T593 Y846 T850 Y854 T1044	R592-D595 PolarHBondContact O-N 2.92Å; T593-D595 PolarHBondContact O-N 3.03Å; D595-Y846 PolarHBondContact O-OH 3.08Å; D595-T850 HydrophobicContact CB-CG2 3.77Å; D595-Y854 WeakPolarHBondContact OD2-CE2 3.45Å; D595-Y854 PolarHBondContact OD2-OH 2.93Å; D595-T1044 WeakPolarHBondContact OD2-CB 3.39Å; D595-T1044 PolarHBondContact OD2-OG1 3.34Å
596	L	98	Very high	95.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.9	-42.5	175.5	-62.8	171.8	0	0	0	111.6	M579 V591 R592 T593 R598 G600 L639 W847	M579-L596 HydrophobicContact CB-CD2 3.89Å; M579-L596 HydrophobicContact CE-CD2 4.4Å; M579-L596 HydrophobicContact CG-CD2 3.66Å; M579-L596 HydrophobicContact SD-CD2 4.09Å; V591-L596 HydrophobicContact CG1-CD1 4.48Å; V591-L596 HydrophobicContact CG1-CD2 3.82Å; V591-L596 HydrophobicContact CG1-CG 3.95Å; R592-L596 WeakPolarHBondContact O-CG 3.4Å; R592-L596 PolarHBondContact O-N 3.43Å; T593-L596 PolarHBondContact O-N 2.79Å; L596-R598 VanDerWaalsContact C-N 3.33Å; L596-R598 PolarHBondContact O-N 3.34Å; L596-G600 PolarHBondContact O-N 3.22Å; L596-G600 VanDerWaalsContact O-N 3.16Å; L596-L639 HydrophobicContact CB-CD1 4.43Å; L596-L639 HydrophobicContact CB-CD2 4.05Å; L596-L639 HydrophobicContact CD1-CD1 4.45Å; L596-W847 HydrophobicContact CD2-CH2 3.73Å; L596-W847 HydrophobicContact CD2-CZ2 4.01Å
597	L	96.9	Very high	95.8	Very high	43 Å²	43	16.1 Å²	16.1	23%	0.225	8%	0.075	C	C	.	.	H	α-helix	trans	-67	-33.1	-179.8	-68.6	177.1	0	0	0	113	T593 I599 P601 Q638 L639 I642	T593-L597 HydrophobicContact CG2-CD1 3.78Å; T593-L597 HydrophobicContact CG2-CG 3.91Å; T593-L597 VanDerWaalsContact O-CG 3.31Å; T593-L597 WeakPolarHBondContact O-CG 3.33Å; T593-L597 PolarHBondContact O-N 3.49Å; L597-I599 PolarHBondContact O-N 2.6Å; L597-P601 WeakPolarHBondContact O-CD 3.33Å; L597-Q638 HydrophobicContact CD1-CB 4.21Å; L597-Q638 HydrophobicContact CD2-CB 3.61Å; L597-L639 HydrophobicContact CD2-CD2 3.96Å; L597-L639 HydrophobicContact CD2-CG 4.04Å; L597-I642 HydrophobicContact CB-CD1 4.39Å; L597-I642 HydrophobicContact CD2-CD1 3.78Å; L597-I642 WeakPolarHBondContact O-CD1 3.46Å
598	R	95.6	Very high	95.9	Very high	53 Å²	53	16.9 Å²	16.9	20%	0.2	8%	0.08	C	C	.	.	H	α-helix	trans	-66.3	-36.4	-178.8	-74.6	176.8	82	-148.8	3.6	112.5	E534 P535 V537 F594 L596	E534-R598 IonicContact OE1-CZ 3.11Å; E534-R598 IonicContact OE1-NH2 2.91Å; E534-R598 PolarHBondContact OE1-NH2 3.01Å; P535-R598 PolarHBondContact O-NH1 2.68Å; P535-R598 PolarHBondContact O-NH2 2.54Å; V537-R598 WeakPolarHBondContact CG1-O 3.45Å; V537-R598 HydrophobicContact CG2-CB 3.87Å; F594-R598 WeakPolarHBondContact O-CG 3.3Å; F594-R598 PolarHBondContact O-N 3.41Å; L596-R598 VanDerWaalsContact C-N 3.33Å; L596-R598 PolarHBondContact O-N 3.34Å
599	I	97.3	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-91.7	-17.7	-179.7	-161.4	57.4	0	0	0	113.6	P538 M579 L597 P601 Y602 L603 Y843 Y846 W847	P538-I599 HydrophobicContact CG-CD1 4.04Å; M579-I599 HydrophobicContact CE-CG2 3.84Å; L597-I599 PolarHBondContact O-N 2.6Å; I599-P601 VanDerWaalsContact C-CD 3.45Å; I599-Y602 HydrophobicContact CD1-CD1 4.44Å; I599-Y602 HydrophobicContact CD1-CG 4.28Å; I599-Y602 VanDerWaalsContact O-CB 3.29Å; I599-Y602 WeakPolarHBondContact O-CB 3.46Å; I599-Y602 PolarHBondContact O-N 2.95Å; I599-L603 PolarHBondContact O-N 2.81Å; I599-Y843 HydrophobicContact CD1-CD2 4.17Å; I599-Y843 HydrophobicContact CG1-CD2 3.65Å; I599-Y843 HydrophobicContact CG1-CE2 3.58Å; I599-Y843 HydrophobicContact CG2-CE2 4.33Å; I599-Y846 HydrophobicContact CB-CD1 3.73Å; I599-Y846 HydrophobicContact CB-CE1 3.5Å; I599-Y846 HydrophobicContact CB-CG 4.37Å; I599-Y846 HydrophobicContact CD1-CD1 3.79Å; I599-Y846 HydrophobicContact CD1-CD2 4.23Å; I599-Y846 HydrophobicContact CD1-CE1 4.4Å; I599-Y846 HydrophobicContact CD1-CG 3.68Å; I599-Y846 HydrophobicContact CG1-CD1 3.61Å; I599-Y846 HydrophobicContact CG1-CE1 3.97Å; I599-Y846 HydrophobicContact CG1-CG 4.07Å; I599-Y846 HydrophobicContact CG2-CD1 4.27Å; I599-Y846 HydrophobicContact CG2-CE1 3.84Å; I599-W847 HydrophobicContact CG2-CZ2 4.19Å
600	G	96.8	Very high	96.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-53.2	-40.6	-178.1	0	0	0	0	0	115.7	L596 Y602 L603 A604 I643	L596-G600 PolarHBondContact O-N 3.22Å; L596-G600 VanDerWaalsContact O-N 3.16Å; G600-Y602 VanDerWaalsContact C-N 3.26Å; G600-Y602 PolarHBondContact O-N 2.77Å; G600-L603 PolarHBondContact O-N 2.88Å; G600-A604 PolarHBondContact O-N 2.85Å; G600-A604 VanDerWaalsContact O-N 3.1Å; G600-I643 VanDerWaalsContact O-CG1 3.28Å; G600-I643 WeakPolarHBondContact O-CG1 3.45Å
601	P	95.7	Very high	96.6	Very high	22 Å²	22	18.8 Å²	18.8	14%	0.143	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-33	176.3	-23.3	35.9	0	0	0	112.8	I540 L597 I599 A604 Y605	I540-P601 HydrophobicContact CD1-CB 3.39Å; L597-P601 WeakPolarHBondContact O-CD 3.33Å; I599-P601 VanDerWaalsContact C-CD 3.45Å; P601-A604 PolarHBondContact O-N 3.22Å; P601-Y605 VanDerWaalsContact O-CD2 3.22Å; P601-Y605 WeakPolarHBondContact O-CD2 3.33Å; P601-Y605 PolarHBondContact O-N 2.81Å; P601-Y605 VanDerWaalsContact O-N 3.09Å
602	Y	96.7	Very high	96.7	Very high	9 Å²	9	18.8 Å²	18.8	4%	0.035	9%	0.088	C	C	.	.	H	α-helix	trans	-63	-45.4	176.2	-176.5	-94.8	0	0	0	111.6	P538 I540 I599 G600 A604 Y605 Q606 M607 D839 T842	P538-Y602 HydrophobicContact CB-CD2 3.52Å; P538-Y602 HydrophobicContact CB-CE2 3.68Å; P538-Y602 HydrophobicContact CB-CG 4.29Å; P538-Y602 HydrophobicContact CG-CD2 4.07Å; P538-Y602 HydrophobicContact CG-CE2 4.25Å; P538-Y602 HydrophobicContact CG-CG 4.39Å; I540-Y602 HydrophobicContact CG2-CD2 3.96Å; I599-Y602 HydrophobicContact CD1-CD1 4.44Å; I599-Y602 HydrophobicContact CD1-CG 4.28Å; I599-Y602 VanDerWaalsContact O-CB 3.29Å; I599-Y602 WeakPolarHBondContact O-CB 3.46Å; I599-Y602 PolarHBondContact O-N 2.95Å; G600-Y602 VanDerWaalsContact C-N 3.26Å; G600-Y602 PolarHBondContact O-N 2.77Å; Y602-A604 PolarHBondContact O-N 3.29Å; Y602-Y605 PolarHBondContact O-N 3.5Å; Y602-Q606 HydrophobicContact CD2-CB 4.33Å; Y602-Q606 HydrophobicContact CD2-CG 3.89Å; Y602-Q606 HydrophobicContact CE1-CB 4.26Å; Y602-Q606 HydrophobicContact CE2-CB 4.03Å; Y602-Q606 HydrophobicContact CE2-CG 3.7Å; Y602-Q606 WeakPolarHBondContact O-CB 3.48Å; Y602-Q606 PolarHBondContact O-N 2.88Å; Y602-M607 HydrophobicContact CE1-CG 4.32Å; Y602-M607 HydrophobicContact CE1-SD 4.14Å; Y602-D839 WeakPolarHBondContact OH-CA 3.49Å; Y602-D839 PolarHBondContact OH-O 2.89Å; Y602-D839 PolarHBondContact OH-OD1 3.44Å; Y602-T842 HydrophobicContact CE2-CG2 3.87Å; Y602-T842 VanDerWaalsContact OH-CB 3.29Å; Y602-T842 WeakPolarHBondContact OH-CB 3.24Å; Y602-T842 WeakPolarHBondContact OH-CG2 3.42Å
603	L	96.7	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61	-45.6	176.6	-65.1	179.6	0	0	0	111.7	M579 I599 G600 Y605 M607 L610 I613 I646 Y843	M579-L603 HydrophobicContact CE-CD1 3.39Å; M579-L603 HydrophobicContact SD-CD1 4.48Å; I599-L603 PolarHBondContact O-N 2.81Å; G600-L603 PolarHBondContact O-N 2.88Å; L603-Y605 VanDerWaalsContact C-N 3.33Å; L603-Y605 PolarHBondContact O-N 2.77Å; L603-M607 HydrophobicContact CD2-CB 4.34Å; L603-M607 HydrophobicContact CD2-CG 4.42Å; L603-M607 HydrophobicContact CD2-SD 3.69Å; L603-M607 CarbonylContact O-C 2.98Å; L603-M607 WeakPolarHBondContact O-CA 3.34Å; L603-M607 PolarHBondContact O-N 3.29Å; L603-M607 VanDerWaalsContact O-N 3.11Å; L603-L610 HydrophobicContact CD2-CD1 4.09Å; L603-I613 HydrophobicContact CB-CD1 4.32Å; L603-I613 HydrophobicContact CD1-CD1 3.76Å; L603-I646 HydrophobicContact CB-CD1 4.43Å; L603-I646 WeakPolarHBondContact O-CD1 3.34Å; L603-Y843 HydrophobicContact CD1-CE2 4.33Å; L603-Y843 HydrophobicContact CD2-CD1 4.22Å; L603-Y843 HydrophobicContact CD2-CD2 4.14Å; L603-Y843 HydrophobicContact CD2-CE1 3.95Å; L603-Y843 HydrophobicContact CD2-CE2 3.84Å; L603-Y843 HydrophobicContact CD2-CG 4.33Å; L603-Y843 HydrophobicContact CG-CE2 4.24Å
604	A	96.2	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-38.5	-179	0	0	0	0	0	113.1	I546 G600 P601 Y602 I642 I643 N645	I546-A604 HydrophobicContact CG2-CB 4.44Å; G600-A604 PolarHBondContact O-N 2.85Å; G600-A604 VanDerWaalsContact O-N 3.1Å; P601-A604 PolarHBondContact O-N 3.22Å; Y602-A604 PolarHBondContact O-N 3.29Å; A604-I642 WeakPolarHBondContact CB-O 3.45Å; A604-I643 HydrophobicContact CB-CB 4.39Å; A604-I643 HydrophobicContact CB-CG1 4.19Å; A604-I643 HydrophobicContact CB-CG2 4.34Å; A604-N645 PolarHBondContact O-ND2 3.34Å
605	Y	95.4	Very high	96.8	Very high	40 Å²	40	16.3 Å²	16.3	16%	0.157	8%	0.077	C	C	.	.	H	α-helix	trans	-92	-40.7	-174.9	-79.3	-102.8	0	0	0	113.9	I540 Y542 N544 I546 P601 Y602 L603	I540-Y605 HydrophobicContact CD1-CD2 3.71Å; I540-Y605 HydrophobicContact CD1-CE2 3.97Å; I540-Y605 HydrophobicContact CD1-CG 4.12Å; Y542-Y605 HydrophobicContact CD1-CE2 4.48Å; Y542-Y605 HydrophobicContact CE1-CE2 4.47Å; N544-Y605 WeakPolarHBondContact O-CE1 3.35Å; I546-Y605 HydrophobicContact CD1-CE2 4.08Å; I546-Y605 HydrophobicContact CG1-CD2 4.22Å; I546-Y605 HydrophobicContact CG1-CE1 4.1Å; I546-Y605 HydrophobicContact CG1-CE2 3.56Å; I546-Y605 VanDerWaalsContact CG1-CZ 3.49Å; P601-Y605 VanDerWaalsContact O-CD2 3.22Å; P601-Y605 WeakPolarHBondContact O-CD2 3.33Å; P601-Y605 PolarHBondContact O-N 2.81Å; P601-Y605 VanDerWaalsContact O-N 3.09Å; Y602-Y605 PolarHBondContact O-N 3.5Å; L603-Y605 VanDerWaalsContact C-N 3.33Å; L603-Y605 PolarHBondContact O-N 2.77Å
606	Q	94.6	Very high	96.8	Very high	73 Å²	73	16.3 Å²	16.3	34%	0.341	8%	0.077	S	C	.	.	H	α-helix	trans	-104.2	-20.6	-171	-58.5	-63.3	10.2	0	0	114.1	I540 Y602 P608	I540-Q606 HydrophobicContact CG2-CG 4.34Å; Y602-Q606 HydrophobicContact CD2-CB 4.33Å; Y602-Q606 HydrophobicContact CD2-CG 3.89Å; Y602-Q606 HydrophobicContact CE1-CB 4.26Å; Y602-Q606 HydrophobicContact CE2-CB 4.03Å; Y602-Q606 HydrophobicContact CE2-CG 3.7Å; Y602-Q606 WeakPolarHBondContact O-CB 3.48Å; Y602-Q606 PolarHBondContact O-N 2.88Å; Q606-P608 WeakPolarHBondContact O-CD 3.29Å
607	M	95.5	Very high	96.6	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.077	C	C	.	.			trans	-121.5	44.3	179.9	-56.8	-174.9	71.5	0	0	113.6	Y602 L603 Q609 L610 I646 M819 L835 D839 V840 Y843	Y602-M607 HydrophobicContact CE1-CG 4.32Å; Y602-M607 HydrophobicContact CE1-SD 4.14Å; L603-M607 HydrophobicContact CD2-CB 4.34Å; L603-M607 HydrophobicContact CD2-CG 4.42Å; L603-M607 HydrophobicContact CD2-SD 3.69Å; L603-M607 CarbonylContact O-C 2.98Å; L603-M607 WeakPolarHBondContact O-CA 3.34Å; L603-M607 PolarHBondContact O-N 3.29Å; L603-M607 VanDerWaalsContact O-N 3.11Å; M607-Q609 PolarHBondContact O-N 2.89Å; M607-Q609 VanDerWaalsContact O-N 3.09Å; M607-L610 HydrophobicContact CB-CD1 3.91Å; M607-L610 HydrophobicContact CB-CG 4.15Å; M607-L610 HydrophobicContact CE-CD1 4.24Å; M607-L610 HydrophobicContact CE-CD2 4.32Å; M607-L610 HydrophobicContact CE-CG 4.35Å; M607-L610 PolarHBondContact O-N 2.79Å; M607-I646 WeakPolarHBondContact O-CD1 3.49Å; M607-M819 HydrophobicContact CE-SD 3.95Å; M607-L835 HydrophobicContact CE-CD2 4.08Å; M607-D839 HydrophobicContact CG-CB 4.38Å; M607-V840 HydrophobicContact CE-CG2 3.96Å; M607-Y843 HydrophobicContact SD-CD1 4.08Å; M607-Y843 HydrophobicContact SD-CG 4.27Å
608	P	94.7	Very high	96.1	Very high	16 Å²	16	15.3 Å²	15.3	10%	0.104	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.3	-180	31.5	-39.1	0	0	0	114	P547 Q606 L610	P547-P608 HydrophobicContact CB-CB 3.96Å; P547-P608 HydrophobicContact CB-CG 3.9Å; P547-P608 HydrophobicContact CG-CG 4.23Å; Q606-P608 WeakPolarHBondContact O-CD 3.29Å; P608-L610 VanDerWaalsContact C-N 3.3Å
609	Q	95.1	Very high	95.8	Very high	85 Å²	85	13.8 Å²	13.8	40%	0.397	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.8	178.8	-53.4	82.3	-6.9	0	0	112.9	M607 F611 L835	M607-Q609 PolarHBondContact O-N 2.89Å; M607-Q609 VanDerWaalsContact O-N 3.09Å; Q609-F611 PolarHBondContact O-N 3.09Å; Q609-L835 HydrophobicContact CB-CD2 3.96Å
610	L	97.7	Very high	95.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.			trans	-53.8	130.3	174.7	-72.3	172.6	0	0	0	109.8	I574 D576 L603 M607 P608 I613 I646 M819 L835	I574-L610 HydrophobicContact CB-CD2 4.33Å; I574-L610 HydrophobicContact CG2-CD2 3.89Å; D576-L610 HydrophobicContact CB-CD1 4.27Å; D576-L610 HydrophobicContact CB-CD2 4.28Å; L603-L610 HydrophobicContact CD2-CD1 4.09Å; M607-L610 HydrophobicContact CB-CD1 3.91Å; M607-L610 HydrophobicContact CB-CG 4.15Å; M607-L610 HydrophobicContact CE-CD1 4.24Å; M607-L610 HydrophobicContact CE-CD2 4.32Å; M607-L610 HydrophobicContact CE-CG 4.35Å; M607-L610 PolarHBondContact O-N 2.79Å; P608-L610 VanDerWaalsContact C-N 3.3Å; L610-I613 HydrophobicContact CD1-CG1 4.32Å; L610-I646 HydrophobicContact CB-CD1 4.33Å; L610-I646 HydrophobicContact CB-CG2 4.12Å; L610-I646 HydrophobicContact CD1-CD1 4.4Å; L610-M819 HydrophobicContact CD2-CE 4.39Å; L610-L835 HydrophobicContact CD2-CD1 4.14Å; L610-L835 HydrophobicContact CD2-CD2 4.41Å
611	F	98.3	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-68.4	-42.7	178.6	162.4	-100.9	0	0	0	111.1	W550 F562 I566 L573 I574 T575 Q609 P647 I682 I746 I802	W550-F611 HydrophobicContact CD2-CD2 4.32Å; W550-F611 HydrophobicContact CE3-CD2 4.37Å; W550-F611 HydrophobicContact CG-CD2 4.48Å; F562-F611 AromaticContact CE1-CE2 3.61Å; F562-F611 HydrophobicContact CE1-CE2 3.61Å; F562-F611 AromaticContact CE1-CZ 3.92Å; F562-F611 HydrophobicContact CE1-CZ 3.92Å; F562-F611 HydrophobicContact CE2-CE2 4.46Å; F562-F611 HydrophobicContact CZ-CD2 4.17Å; F562-F611 AromaticContact CZ-CE2 3.4Å; F562-F611 HydrophobicContact CZ-CE2 3.4Å; F562-F611 HydrophobicContact CZ-CZ 4.05Å; I566-F611 HydrophobicContact CD1-CE2 3.46Å; I566-F611 VanDerWaalsContact CD1-CE2 3.46Å; I566-F611 HydrophobicContact CD1-CZ 3.89Å; I566-F611 HydrophobicContact CG1-CD2 4.39Å; I566-F611 HydrophobicContact CG1-CE2 3.76Å; L573-F611 HydrophobicContact CB-CB 3.86Å; L573-F611 HydrophobicContact CB-CG 4.33Å; L573-F611 HydrophobicContact CD1-CB 4.42Å; L573-F611 HydrophobicContact CD1-CD2 3.94Å; L573-F611 HydrophobicContact CD1-CG 4.4Å; L573-F611 HydrophobicContact CD2-CB 4.37Å; L573-F611 HydrophobicContact CG-CB 4.45Å; I574-F611 WeakPolarHBondContact O-CB 3.43Å; I574-F611 PolarHBondContact O-N 3.28Å; T575-F611 WeakPolarHBondContact OG1-CD1 3.34Å; Q609-F611 PolarHBondContact O-N 3.09Å; F611-P647 WeakPolarHBondContact O-CD 3.38Å; F611-P647 WeakPolarHBondContact O-CG 3.47Å; F611-I682 HydrophobicContact CE1-CD1 3.66Å; F611-I682 HydrophobicContact CE2-CD1 4.31Å; F611-I682 HydrophobicContact CZ-CD1 3.49Å; F611-I682 VanDerWaalsContact CZ-CD1 3.49Å; F611-I746 HydrophobicContact CZ-CD1 3.88Å; F611-I802 HydrophobicContact CB-CG2 4.49Å; F611-I802 HydrophobicContact CD1-CD1 4.04Å; F611-I802 HydrophobicContact CD1-CG1 4.25Å; F611-I802 HydrophobicContact CD1-CG2 3.54Å; F611-I802 HydrophobicContact CD2-CD1 4.35Å; F611-I802 HydrophobicContact CE1-CD1 3.57Å; F611-I802 HydrophobicContact CE1-CG1 4.28Å; F611-I802 HydrophobicContact CE1-CG2 4.01Å; F611-I802 HydrophobicContact CE2-CD1 3.91Å; F611-I802 HydrophobicContact CG-CD1 4.4Å; F611-I802 HydrophobicContact CG-CG1 4.38Å; F611-I802 HydrophobicContact CG-CG2 4.11Å; F611-I802 HydrophobicContact CZ-CD1 3.49Å; F611-I802 VanDerWaalsContact CZ-CD1 3.49Å; F611-I802 HydrophobicContact CZ-CG1 4.43Å
612	S	98.6	Very high	95.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.9	172.7	81.6	0	0	0	0	111.3	T575 D576 P647 Q649	T575-S612 WeakPolarHBondContact CA-O 3.48Å; T575-S612 WeakPolarHBondContact CG2-OG 3.41Å; T575-S612 PolarHBondContact OG1-OG 3.19Å; D576-S612 PolarHBondContact N-O 3.38Å; S612-P647 CarbonylContact C-O 3.58Å; S612-P647 VanDerWaalsContact CA-O 3.25Å; S612-P647 WeakPolarHBondContact CA-O 3.41Å; S612-P647 WeakPolarHBondContact CB-O 3.49Å; S612-Q649 PolarHBondContact OG-OE1 3.4Å
613	I	98.7	Very high	95.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.4	165.8	-59.9	160.6	0	0	0	106.8	M579 L603 L610 N615 I643 I646 P647 F648 Q649	M579-I613 HydrophobicContact CB-CG2 4.18Å; M579-I613 HydrophobicContact CG-CG2 4.02Å; M579-I613 HydrophobicContact SD-CG2 3.82Å; L603-I613 HydrophobicContact CB-CD1 4.32Å; L603-I613 HydrophobicContact CD1-CD1 3.76Å; L610-I613 HydrophobicContact CD1-CG1 4.32Å; I613-N615 HydrophobicContact CG2-CB 4.08Å; I613-N615 PolarHBondContact O-N 3.1Å; I613-I643 HydrophobicContact CD1-CD1 4.07Å; I613-I643 HydrophobicContact CD1-CG2 4.13Å; I613-I646 HydrophobicContact CD1-CB 4.21Å; I613-I646 HydrophobicContact CD1-CD1 4.02Å; I613-I646 HydrophobicContact CD1-CG2 3.96Å; I613-I646 HydrophobicContact CG1-CG2 3.85Å; I613-P647 PolarHBondContact N-O 3.18Å; I613-F648 HydrophobicContact CB-CD1 4.39Å; I613-F648 HydrophobicContact CD1-CE1 4.4Å; I613-F648 WeakPolarHBondContact O-CA 3.21Å; I613-Q649 PolarHBondContact O-N 3.34Å
614	E	98.7	Very high	95.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	104.3	170.7	-160.6	-163.1	-132.3	0	0	108.5	T575 D576 T577 M579 R580 Q649 R684	T575-E614 HydrophobicContact CG2-CB 4.08Å; D576-E614 PolarHBondContact O-N 3.33Å; T577-E614 HydrophobicContact CG2-CB 4.35Å; M579-E614 CarbonylContact C-O 3.29Å; R580-E614 HydrophobicContact CB-CG 4.19Å; R580-E614 WeakPolarHBondContact CB-O 3.39Å; R580-E614 HydrophobicContact CG-CG 4.46Å; R580-E614 IonicContact CZ-OE1 3.37Å; R580-E614 IonicContact CZ-OE2 3.77Å; R580-E614 PolarHBondContact N-O 3.41Å; R580-E614 VanDerWaalsContact NE-CD 3.25Å; R580-E614 IonicContact NE-OE1 2.8Å; R580-E614 IonicContact NE-OE2 3.71Å; R580-E614 PolarHBondContact NE-OE2 3.44Å; R580-E614 IonicContact NH2-OE1 3.73Å; R580-E614 PolarHBondContact NH2-OE1 2.96Å; R580-E614 IonicContact NH2-OE2 3.03Å; R580-E614 PolarHBondContact NH2-OE2 3.13Å; E614-Q649 WeakPolarHBondContact CA-O 3.28Å; E614-Q649 HydrophobicContact CB-CB 4.28Å; E614-Q649 HydrophobicContact CG-CB 4.3Å; E614-Q649 HydrophobicContact CG-CG 4.28Å; E614-R684 IonicContact OE1-NH1 3.69Å; E614-R684 PolarHBondContact OE1-NH1 3.02Å
615	N	98.1	Very high	95.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	4	-172.9	65.5	7.5	0	0	0	114.2	M579 I613 F648 Q649	M579-N615 HydrophobicContact CB-CB 3.66Å; M579-N615 HydrophobicContact SD-CB 4.28Å; I613-N615 HydrophobicContact CG2-CB 4.08Å; I613-N615 PolarHBondContact O-N 3.1Å; N615-F648 VanDerWaalsContact ND2-CD1 3.25Å; N615-F648 WeakPolarHBondContact ND2-CD1 3.06Å; N615-F648 WeakPolarHBondContact ND2-CD2 3.3Å; N615-F648 VanDerWaalsContact ND2-CE1 3.32Å; N615-F648 WeakPolarHBondContact ND2-CE1 3.49Å; N615-F648 WeakPolarHBondContact ND2-CE2 3.27Å; N615-F648 WeakPolarHBondContact ND2-CG 3.5Å; N615-F648 VanDerWaalsContact ND2-CZ 3.28Å; N615-F648 WeakPolarHBondContact ND2-CZ 3.06Å; N615-Q649 PolarHBondContact N-O 3.05Å
616	W	97.9	Very high	95.1	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	166.9	-173.1	-133.6	61.1	0	0	0	114	R580 F621 P632 W633 L636 M650 L651 F671 A675 I680	R580-W616 WeakPolarHBondContact CG-O 3.44Å; W616-F621 AromaticContact CH2-CD2 3.8Å; W616-F621 HydrophobicContact CH2-CD2 3.8Å; W616-F621 AromaticContact CH2-CE2 3.67Å; W616-F621 HydrophobicContact CH2-CE2 3.67Å; W616-F621 AromaticContact CZ2-CD2 3.86Å; W616-F621 HydrophobicContact CZ2-CD2 3.86Å; W616-F621 AromaticContact CZ2-CE2 3.95Å; W616-F621 HydrophobicContact CZ2-CE2 3.95Å; W616-F621 HydrophobicContact CZ3-CD2 4.42Å; W616-P632 HydrophobicContact CZ2-CB 3.87Å; W616-P632 WeakPolarHBondContact CZ2-O 3.5Å; W616-P632 PolarHBondContact NE1-O 3.03Å; W616-W633 AromaticContact CH2-CD2 3.72Å; W616-W633 HydrophobicContact CH2-CD2 3.72Å; W616-W633 AromaticContact CH2-CE2 3.92Å; W616-W633 AromaticContact CH2-CE3 3.48Å; W616-W633 HydrophobicContact CH2-CE3 3.48Å; W616-W633 VanDerWaalsContact CH2-CE3 3.48Å; W616-W633 AromaticContact CH2-CH2 3.69Å; W616-W633 HydrophobicContact CH2-CH2 3.69Å; W616-W633 AromaticContact CH2-CZ2 3.92Å; W616-W633 HydrophobicContact CH2-CZ2 3.92Å; W616-W633 AromaticContact CH2-CZ3 3.46Å; W616-W633 HydrophobicContact CH2-CZ3 3.46Å; W616-W633 VanDerWaalsContact CH2-CZ3 3.46Å; W616-W633 HydrophobicContact CZ2-CD2 4.01Å; W616-W633 AromaticContact CZ2-CE3 3.98Å; W616-W633 HydrophobicContact CZ2-CE3 3.98Å; W616-W633 HydrophobicContact CZ2-CG 4.39Å; W616-W633 HydrophobicContact CZ2-CZ3 4.4Å; W616-W633 HydrophobicContact CZ3-CE3 4.42Å; W616-W633 HydrophobicContact CZ3-CH2 4.18Å; W616-W633 HydrophobicContact CZ3-CZ3 4.02Å; W616-L636 HydrophobicContact CD2-CD2 4.22Å; W616-L636 HydrophobicContact CE3-CD2 4.24Å; W616-L636 HydrophobicContact CH2-CD2 4.2Å; W616-L636 HydrophobicContact CZ2-CB 4.28Å; W616-L636 HydrophobicContact CZ2-CD2 4.16Å; W616-L636 HydrophobicContact CZ3-CD2 4.24Å; W616-M650 HydrophobicContact CB-CB 4.01Å; W616-M650 HydrophobicContact CE3-CE 4.07Å; W616-M650 HydrophobicContact CE3-SD 4.03Å; W616-M650 HydrophobicContact CZ3-CE 4.45Å; W616-M650 HydrophobicContact CZ3-SD 4.45Å; W616-M650 VanDerWaalsContact O-CA 3.24Å; W616-M650 WeakPolarHBondContact O-CA 3.35Å; W616-M650 WeakPolarHBondContact O-CB 3.29Å; W616-L651 PolarHBondContact O-N 2.95Å; W616-F671 HydrophobicContact CH2-CZ 4.38Å; W616-F671 HydrophobicContact CZ3-CE2 4.42Å; W616-F671 AromaticContact CZ3-CZ 3.79Å; W616-F671 HydrophobicContact CZ3-CZ 3.79Å; W616-A675 HydrophobicContact CZ3-CB 4.47Å; W616-I680 HydrophobicContact CB-CD1 3.71Å; W616-I680 HydrophobicContact CD2-CD1 4.2Å; W616-I680 HydrophobicContact CE3-CD1 3.96Å; W616-I680 HydrophobicContact CE3-CG1 3.93Å; W616-I680 HydrophobicContact CG-CD1 4.14Å; W616-I680 HydrophobicContact CZ3-CG1 4.45Å
617	G	93	Very high	95	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.8	-164.3	-174.6	0	0	0	0	0	113.2	A619 T620 L651	G617-A619 PolarHBondContact O-N 2.89Å; G617-T620 PolarHBondContact N-OG1 2.96Å; G617-T620 PolarHBondContact O-N 2.9Å; G617-T620 PolarHBondContact O-OG1 3.01Å; G617-L651 WeakPolarHBondContact CA-O 3.45Å
618	G	86.7	Confident	95.1	Very high	22 Å²	22	15.2 Å²	15.2	23%	0.227	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-134.9	-169.4	0	0	0	0	0	111.7	T620 L651	G618-T620 VanDerWaalsContact C-N 3.34Å; G618-L651 PolarHBondContact N-O 2.68Å
619	A	88.9	Confident	95.2	Very high	20 Å²	20	15.9 Å²	15.9	17%	0.165	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-12.2	-179.1	0	0	0	0	0	114.2	Q584 T589 G617 F621 D622 V623	Q584-A619 HydrophobicContact CG-CB 4.42Å; T589-A619 HydrophobicContact CG2-CB 4.15Å; G617-A619 PolarHBondContact O-N 2.89Å; A619-F621 PolarHBondContact O-N 2.9Å; A619-D622 PolarHBondContact O-N 2.96Å; A619-V623 HydrophobicContact CB-CG2 4.23Å; A619-V623 VanDerWaalsContact O-CB 3.31Å; A619-V623 WeakPolarHBondContact O-CB 3.46Å; A619-V623 VanDerWaalsContact O-CG2 3.27Å; A619-V623 WeakPolarHBondContact O-CG2 3.45Å; A619-V623 PolarHBondContact O-N 3.06Å
620	T	94.1	Very high	95.3	Very high	4 Å²	4	12 Å²	12	3%	0.025	6%	0.062	C	C	.	.	H	α-helix	trans	-61.1	-32.5	-172.1	61.2	0	0	0	0	113.1	R580 T589 G617 G618 S624	R580-T620 HydrophobicContact CG-CG2 3.91Å; T589-T620 HydrophobicContact CG2-CG2 3.64Å; G617-T620 PolarHBondContact N-OG1 2.96Å; G617-T620 PolarHBondContact O-N 2.9Å; G617-T620 PolarHBondContact O-OG1 3.01Å; G618-T620 VanDerWaalsContact C-N 3.34Å; T620-S624 WeakPolarHBondContact O-CB 3.28Å; T620-S624 PolarHBondContact O-N 2.77Å; T620-S624 PolarHBondContact O-OG 2.64Å
621	F	95.1	Very high	95.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.9	-49.4	-177.9	-163.8	-83.3	0	0	0	112.7	W616 A619 S624 M625 P632 W633 V658 F671 L1021 Y1022	W616-F621 AromaticContact CH2-CD2 3.8Å; W616-F621 HydrophobicContact CH2-CD2 3.8Å; W616-F621 AromaticContact CH2-CE2 3.67Å; W616-F621 HydrophobicContact CH2-CE2 3.67Å; W616-F621 AromaticContact CZ2-CD2 3.86Å; W616-F621 HydrophobicContact CZ2-CD2 3.86Å; W616-F621 AromaticContact CZ2-CE2 3.95Å; W616-F621 HydrophobicContact CZ2-CE2 3.95Å; W616-F621 HydrophobicContact CZ3-CD2 4.42Å; A619-F621 PolarHBondContact O-N 2.9Å; F621-S624 PolarHBondContact O-OG 3.28Å; F621-M625 HydrophobicContact CD1-CE 3.77Å; F621-M625 HydrophobicContact CE1-CE 3.59Å; F621-M625 WeakPolarHBondContact O-CE 3.31Å; F621-P632 HydrophobicContact CD1-CG 4.29Å; F621-P632 HydrophobicContact CD2-CB 3.86Å; F621-P632 HydrophobicContact CD2-CG 3.68Å; F621-P632 HydrophobicContact CE1-CG 4.35Å; F621-P632 HydrophobicContact CE2-CB 4.27Å; F621-P632 HydrophobicContact CE2-CG 3.75Å; F621-P632 HydrophobicContact CG-CB 4.29Å; F621-P632 HydrophobicContact CG-CG 3.97Å; F621-P632 HydrophobicContact CZ-CG 4.1Å; F621-W633 AromaticContact CE2-CE2 3.7Å; F621-W633 AromaticContact CE2-CZ2 3.85Å; F621-W633 HydrophobicContact CE2-CZ2 3.85Å; F621-W633 AromaticContact CE2-NE1 3.54Å; F621-W633 AromaticContact CZ-CE2 4Å; F621-W633 HydrophobicContact CZ-CZ2 4.16Å; F621-W633 AromaticContact CZ-NE1 3.5Å; F621-V658 HydrophobicContact CB-CB 3.97Å; F621-V658 HydrophobicContact CB-CG1 4.38Å; F621-V658 HydrophobicContact CB-CG2 3.93Å; F621-V658 HydrophobicContact CD1-CG2 3.73Å; F621-V658 HydrophobicContact CD2-CG2 3.92Å; F621-V658 HydrophobicContact CE1-CG2 4.18Å; F621-V658 HydrophobicContact CE2-CG2 4.34Å; F621-V658 HydrophobicContact CG-CB 4.19Å; F621-V658 HydrophobicContact CG-CG2 3.58Å; F621-V658 HydrophobicContact CZ-CG2 4.46Å; F621-F671 HydrophobicContact CD2-CE2 4.47Å; F621-F671 AromaticContact CE2-CE2 3.98Å; F621-F671 HydrophobicContact CE2-CE2 3.98Å; F621-F671 HydrophobicContact CZ-CE2 4.39Å; F621-L1021 HydrophobicContact CE1-CD1 4.35Å; F621-L1021 HydrophobicContact CZ-CD1 4.41Å; F621-Y1022 AromaticContact CD1-CD2 3.84Å; F621-Y1022 HydrophobicContact CD1-CD2 3.84Å; F621-Y1022 AromaticContact CD1-CE2 3.77Å; F621-Y1022 HydrophobicContact CD1-CE2 3.77Å; F621-Y1022 AromaticContact CE1-CD2 3.99Å; F621-Y1022 HydrophobicContact CE1-CD2 3.99Å; F621-Y1022 HydrophobicContact CE1-CE2 4.31Å
622	D	92.8	Very high	95.2	Very high	6 Å²	6	12.6 Å²	12.6	3%	0.032	7%	0.066	C	C	.	.	H	α-helix	trans	-70	-46.9	175.4	176.2	79.1	0	0	0	111.5	A619 S624 M625 R626 Y660 Y1022	A619-D622 PolarHBondContact O-N 2.96Å; D622-S624 PolarHBondContact O-N 3.35Å; D622-M625 PolarHBondContact O-N 2.99Å; D622-R626 WeakPolarHBondContact O-CB 3.33Å; D622-R626 PolarHBondContact O-N 3.24Å; D622-R626 IonicContact OD1-CZ 2.93Å; D622-R626 IonicContact OD1-NE 3.59Å; D622-R626 PolarHBondContact OD1-NE 3.46Å; D622-R626 VanDerWaalsContact OD1-NE 3.11Å; D622-R626 IonicContact OD1-NH2 3.63Å; D622-R626 PolarHBondContact OD1-NH2 3.42Å; D622-R626 IonicContact OD2-CZ 2.67Å; D622-R626 IonicContact OD2-NE 2.69Å; D622-R626 PolarHBondContact OD2-NE 2.82Å; D622-R626 IonicContact OD2-NH2 2.72Å; D622-Y660 HydrophobicContact CB-CE2 4.43Å; D622-Y1022 HydrophobicContact CB-CD1 4.47Å; D622-Y1022 HydrophobicContact CB-CE1 3.83Å; D622-Y1022 HydrophobicContact CB-CE2 4.29Å; D622-Y1022 WeakPolarHBondContact OD1-CD1 3.46Å; D622-Y1022 WeakPolarHBondContact OD1-CE1 3.45Å
623	V	92.4	Very high	95.1	Very high	9 Å²	9	12.7 Å²	12.7	6%	0.055	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-39.5	-171.4	167.5	0	0	0	0	112.1	T589 A619 M625 R626 F627 L628	T589-V623 HydrophobicContact CG2-CB 4.27Å; T589-V623 HydrophobicContact CG2-CG1 4.32Å; T589-V623 HydrophobicContact CG2-CG2 4.45Å; T589-V623 WeakPolarHBondContact O-CG1 3.41Å; A619-V623 HydrophobicContact CB-CG2 4.23Å; A619-V623 VanDerWaalsContact O-CB 3.31Å; A619-V623 WeakPolarHBondContact O-CB 3.46Å; A619-V623 VanDerWaalsContact O-CG2 3.27Å; A619-V623 WeakPolarHBondContact O-CG2 3.45Å; A619-V623 PolarHBondContact O-N 3.06Å; V623-M625 PolarHBondContact O-N 2.96Å; V623-R626 PolarHBondContact O-N 3.21Å; V623-F627 HydrophobicContact CB-CD2 4.35Å; V623-F627 HydrophobicContact CG1-CB 4.41Å; V623-F627 HydrophobicContact CG1-CD2 4.12Å; V623-F627 HydrophobicContact CG2-CD2 4.14Å; V623-F627 HydrophobicContact CG2-CE2 4.47Å; V623-F627 PolarHBondContact O-N 2.59Å; V623-L628 HydrophobicContact CG1-CD1 4.42Å; V623-L628 HydrophobicContact CG1-CG 4.44Å; V623-L628 PolarHBondContact O-N 3.48Å
624	S	96.3	Very high	95	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.007	8%	0.078	C	C	.	.	I	π-helix	trans	-57.2	-49.5	176.6	53.2	0	0	0	0	111.5	T620 F621 D622 L628 H629 E630 P632	T620-S624 WeakPolarHBondContact O-CB 3.28Å; T620-S624 PolarHBondContact O-N 2.77Å; T620-S624 PolarHBondContact O-OG 2.64Å; F621-S624 PolarHBondContact O-OG 3.28Å; D622-S624 PolarHBondContact O-N 3.35Å; S624-L628 CarbonylContact O-C 3.44Å; S624-L628 VanDerWaalsContact O-C 3.29Å; S624-L628 WeakPolarHBondContact O-CA 3.46Å; S624-L628 WeakPolarHBondContact O-CB 3.34Å; S624-L628 PolarHBondContact O-N 3.44Å; S624-H629 PolarHBondContact O-N 3.22Å; S624-E630 CarbonylContact C-O 3.48Å; S624-E630 PolarHBondContact O-N 3.5Å; S624-P632 WeakPolarHBondContact OG-CB 3.31Å; S624-P632 WeakPolarHBondContact OG-CD 3.42Å
625	M	96.7	Very high	95	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.078	C	C	.	.	I	π-helix	trans	-71	-46.1	178.4	-65.5	-172.5	-75.4	0	0	112.7	F621 D622 V623 H629 E630 P632 Y1022 V1025 F1026 F1029	F621-M625 HydrophobicContact CD1-CE 3.77Å; F621-M625 HydrophobicContact CE1-CE 3.59Å; F621-M625 WeakPolarHBondContact O-CE 3.31Å; D622-M625 PolarHBondContact O-N 2.99Å; V623-M625 PolarHBondContact O-N 2.96Å; M625-H629 PolarHBondContact O-ND1 2.89Å; M625-E630 WeakPolarHBondContact CA-O 3.5Å; M625-E630 PolarHBondContact N-O 3.17Å; M625-P632 HydrophobicContact CE-CG 4.5Å; M625-P632 HydrophobicContact CG-CG 4.29Å; M625-Y1022 HydrophobicContact CE-CD2 4.38Å; M625-V1025 HydrophobicContact CB-CG1 3.86Å; M625-F1026 HydrophobicContact SD-CD2 4.26Å; M625-F1029 HydrophobicContact CB-CB 4.21Å; M625-F1029 HydrophobicContact CB-CD2 4.46Å; M625-F1029 HydrophobicContact CB-CG 4.22Å; M625-F1029 HydrophobicContact CG-CD1 4.38Å; M625-F1029 HydrophobicContact CG-CG 4.33Å; M625-F1029 HydrophobicContact SD-CD1 4.42Å
626	R	93.6	Very high	95	Very high	81 Å²	81	15.3 Å²	15.3	31%	0.306	8%	0.078	S	C	.	.	I	π-helix	trans	-72.3	-45.5	-170.5	-172.7	-174.3	-63.4	-83.8	6	113.1	D622 V623 H629 V1025	D622-R626 WeakPolarHBondContact O-CB 3.33Å; D622-R626 PolarHBondContact O-N 3.24Å; D622-R626 IonicContact OD1-CZ 2.93Å; D622-R626 IonicContact OD1-NE 3.59Å; D622-R626 PolarHBondContact OD1-NE 3.46Å; D622-R626 VanDerWaalsContact OD1-NE 3.11Å; D622-R626 IonicContact OD1-NH2 3.63Å; D622-R626 PolarHBondContact OD1-NH2 3.42Å; D622-R626 IonicContact OD2-CZ 2.67Å; D622-R626 IonicContact OD2-NE 2.69Å; D622-R626 PolarHBondContact OD2-NE 2.82Å; D622-R626 IonicContact OD2-NH2 2.72Å; V623-R626 PolarHBondContact O-N 3.21Å; R626-H629 PolarHBondContact O-CE1 3.25Å; R626-H629 VanDerWaalsContact O-CE1 3.28Å; R626-V1025 HydrophobicContact CB-CG1 3.69Å; R626-V1025 HydrophobicContact CG-CG1 4.33Å
627	F	92.9	Very high	95	Very high	74 Å²	74	17.3 Å²	17.3	33%	0.325	9%	0.088	S	C	.	.	I	π-helix	trans	-114.9	-28.2	-168.2	-63.7	-64.9	0	0	0	113.5	T522 R590 V623	T522-F627 HydrophobicContact CG2-CB 4.08Å; T522-F627 WeakPolarHBondContact CG2-O 3.18Å; T522-F627 PolarHBondContact OG1-O 2.93Å; R590-F627 VanDerWaalsContact CZ-CD2 3.44Å; R590-F627 VanDerWaalsContact NH2-CE2 3.31Å; R590-F627 VanDerWaalsContact NH2-CG 3.3Å; V623-F627 HydrophobicContact CB-CD2 4.35Å; V623-F627 HydrophobicContact CG1-CB 4.41Å; V623-F627 HydrophobicContact CG1-CD2 4.12Å; V623-F627 HydrophobicContact CG2-CD2 4.14Å; V623-F627 HydrophobicContact CG2-CE2 4.47Å; V623-F627 PolarHBondContact O-N 2.59Å
628	L	96.4	Very high	95.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-100.5	-10.7	179.1	-52	178.5	0	0	0	112.2	R590 R592 V623 S624 E630 F1047 F1048	R590-L628 HydrophobicContact CB-CD2 4.44Å; R590-L628 WeakPolarHBondContact O-CD2 3.16Å; R592-L628 HydrophobicContact CG-CD1 4.18Å; R592-L628 HydrophobicContact CG-CD2 3.98Å; R592-L628 HydrophobicContact CG-CG 4.47Å; V623-L628 HydrophobicContact CG1-CD1 4.42Å; V623-L628 HydrophobicContact CG1-CG 4.44Å; V623-L628 PolarHBondContact O-N 3.48Å; S624-L628 CarbonylContact O-C 3.44Å; S624-L628 VanDerWaalsContact O-C 3.29Å; S624-L628 WeakPolarHBondContact O-CA 3.46Å; S624-L628 WeakPolarHBondContact O-CB 3.34Å; S624-L628 PolarHBondContact O-N 3.44Å; L628-E630 VanDerWaalsContact C-N 3.25Å; L628-E630 HydrophobicContact CB-CG 4.04Å; L628-E630 VanDerWaalsContact CB-OE1 3.27Å; L628-E630 WeakPolarHBondContact CB-OE1 3.26Å; L628-E630 WeakPolarHBondContact CD1-OE1 3.34Å; L628-E630 PolarHBondContact O-N 3.47Å; L628-F1047 HydrophobicContact CD2-CE1 4.32Å; L628-F1047 WeakPolarHBondContact O-CE2 3.48Å; L628-F1047 VanDerWaalsContact O-CZ 3.28Å; L628-F1047 WeakPolarHBondContact O-CZ 3.27Å; L628-F1048 HydrophobicContact CD2-CE1 4.38Å; L628-F1048 HydrophobicContact CD2-CZ 4.27Å
629	H	96.7	Very high	95.7	Very high	29 Å²	29	18.3 Å²	18.3	13%	0.134	9%	0.086	C	C	.	.			trans	50.4	44.8	-178	-53.4	-58.9	0	0	0	113	S624 M625 R626 F1029 F1032 V1039	S624-H629 PolarHBondContact O-N 3.22Å; M625-H629 PolarHBondContact O-ND1 2.89Å; R626-H629 PolarHBondContact O-CE1 3.25Å; R626-H629 VanDerWaalsContact O-CE1 3.28Å; H629-F1029 WeakPolarHBondContact O-CE2 3.35Å; H629-F1032 HydrophobicContact CB-CD1 3.54Å; H629-F1032 HydrophobicContact CB-CE1 3.42Å; H629-F1032 VanDerWaalsContact CB-CE1 3.42Å; H629-F1032 HydrophobicContact CB-CE2 4.44Å; H629-F1032 HydrophobicContact CB-CG 4.13Å; H629-F1032 HydrophobicContact CB-CZ 3.89Å; H629-F1032 AromaticContact CD2-CD2 3.8Å; H629-F1032 AromaticContact CD2-CE1 3.81Å; H629-F1032 AromaticContact CD2-CE2 3.3Å; H629-F1032 WeakPolarHBondContact CD2-CE2 3.44Å; H629-F1032 AromaticContact CD2-CZ 3.3Å; H629-F1032 WeakPolarHBondContact CD2-CZ 3.4Å; H629-F1032 AromaticContact CE1-CD2 3.78Å; H629-F1032 AromaticContact CE1-CE2 3.97Å; H629-F1032 AromaticContact CG-CD1 3.71Å; H629-F1032 AromaticContact CG-CD2 3.82Å; H629-F1032 AromaticContact CG-CE1 3.63Å; H629-F1032 AromaticContact CG-CE2 3.72Å; H629-F1032 AromaticContact CG-CG 3.81Å; H629-F1032 AromaticContact CG-CZ 3.62Å; H629-F1032 AromaticContact ND1-CD2 3.82Å; H629-F1032 AromaticContact ND1-CG 3.84Å; H629-F1032 AromaticContact NE2-CD2 3.77Å; H629-F1032 AromaticContact NE2-CE2 3.47Å; H629-F1032 WeakPolarHBondContact NE2-CE2 3.39Å; H629-F1032 AromaticContact NE2-CZ 3.99Å; H629-V1039 HydrophobicContact CB-CG2 3.94Å
630	E	96.7	Very high	96.1	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	8%	0.082	C	C	.	.			trans	-129.2	153.6	177.4	71.8	-163.9	157	0	0	110.7	T593 S624 M625 L628 R635 D1040	T593-E630 WeakPolarHBondContact CB-OE2 3.28Å; T593-E630 PolarHBondContact N-OE2 3.3Å; T593-E630 PolarHBondContact OG1-OE2 2.8Å; S624-E630 CarbonylContact C-O 3.48Å; S624-E630 PolarHBondContact O-N 3.5Å; M625-E630 WeakPolarHBondContact CA-O 3.5Å; M625-E630 PolarHBondContact N-O 3.17Å; L628-E630 VanDerWaalsContact C-N 3.25Å; L628-E630 HydrophobicContact CB-CG 4.04Å; L628-E630 VanDerWaalsContact CB-OE1 3.27Å; L628-E630 WeakPolarHBondContact CB-OE1 3.26Å; L628-E630 WeakPolarHBondContact CD1-OE1 3.34Å; L628-E630 PolarHBondContact O-N 3.47Å; E630-R635 IonicContact OE1-CZ 3.71Å; E630-R635 IonicContact OE1-NE 2.73Å; E630-R635 IonicContact OE1-NH2 3.14Å; E630-R635 PolarHBondContact OE1-NH2 2.78Å; E630-R635 IonicContact OE2-NH2 3.26Å; E630-D1040 HydrophobicContact CB-CB 4.14Å
631	C	96.9	Very high	96.2	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.074	11%	0.114	C	C	.	.			trans	-83.9	124.5	-178.8	-179.8	0	0	0	0	110.7	W633 E634 R635 F1029	C631-W633 VanDerWaalsContact C-N 3.25Å; C631-W633 PolarHBondContact O-N 2.98Å; C631-E634 HydrophobicContact CB-CB 3.91Å; C631-E634 HydrophobicContact CB-CG 3.72Å; C631-E634 PolarHBondContact O-N 3.34Å; C631-R635 PolarHBondContact O-N 3.06Å; C631-R635 VanDerWaalsContact O-N 3.08Å; C631-F1029 HydrophobicContact CB-CE1 4.38Å; C631-F1029 HydrophobicContact CB-CZ 4Å
632	P	97.4	Very high	96.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-64.4	-30.6	178.9	23.4	-32.1	0	0	0	112.4	W616 F621 S624 M625 R635 L636	W616-P632 HydrophobicContact CZ2-CB 3.87Å; W616-P632 WeakPolarHBondContact CZ2-O 3.5Å; W616-P632 PolarHBondContact NE1-O 3.03Å; F621-P632 HydrophobicContact CD1-CG 4.29Å; F621-P632 HydrophobicContact CD2-CB 3.86Å; F621-P632 HydrophobicContact CD2-CG 3.68Å; F621-P632 HydrophobicContact CE1-CG 4.35Å; F621-P632 HydrophobicContact CE2-CB 4.27Å; F621-P632 HydrophobicContact CE2-CG 3.75Å; F621-P632 HydrophobicContact CG-CB 4.29Å; F621-P632 HydrophobicContact CG-CG 3.97Å; F621-P632 HydrophobicContact CZ-CG 4.1Å; S624-P632 WeakPolarHBondContact OG-CB 3.31Å; S624-P632 WeakPolarHBondContact OG-CD 3.42Å; M625-P632 HydrophobicContact CE-CG 4.5Å; M625-P632 HydrophobicContact CG-CG 4.29Å; P632-R635 WeakPolarHBondContact O-CB 3.49Å; P632-L636 PolarHBondContact O-N 3.43Å; P632-L636 VanDerWaalsContact O-N 3.09Å
633	W	97.9	Very high	96.5	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-70.3	-43.9	176.3	-59.7	101.2	0	0	0	112.1	W616 F621 C631 R635 L636 E637 F671 V674 A675 N678 R1014 L1017 S1018	W616-W633 AromaticContact CH2-CD2 3.72Å; W616-W633 HydrophobicContact CH2-CD2 3.72Å; W616-W633 AromaticContact CH2-CE2 3.92Å; W616-W633 AromaticContact CH2-CE3 3.48Å; W616-W633 HydrophobicContact CH2-CE3 3.48Å; W616-W633 VanDerWaalsContact CH2-CE3 3.48Å; W616-W633 AromaticContact CH2-CH2 3.69Å; W616-W633 HydrophobicContact CH2-CH2 3.69Å; W616-W633 AromaticContact CH2-CZ2 3.92Å; W616-W633 HydrophobicContact CH2-CZ2 3.92Å; W616-W633 AromaticContact CH2-CZ3 3.46Å; W616-W633 HydrophobicContact CH2-CZ3 3.46Å; W616-W633 VanDerWaalsContact CH2-CZ3 3.46Å; W616-W633 HydrophobicContact CZ2-CD2 4.01Å; W616-W633 AromaticContact CZ2-CE3 3.98Å; W616-W633 HydrophobicContact CZ2-CE3 3.98Å; W616-W633 HydrophobicContact CZ2-CG 4.39Å; W616-W633 HydrophobicContact CZ2-CZ3 4.4Å; W616-W633 HydrophobicContact CZ3-CE3 4.42Å; W616-W633 HydrophobicContact CZ3-CH2 4.18Å; W616-W633 HydrophobicContact CZ3-CZ3 4.02Å; F621-W633 AromaticContact CE2-CE2 3.7Å; F621-W633 AromaticContact CE2-CZ2 3.85Å; F621-W633 HydrophobicContact CE2-CZ2 3.85Å; F621-W633 AromaticContact CE2-NE1 3.54Å; F621-W633 AromaticContact CZ-CE2 4Å; F621-W633 HydrophobicContact CZ-CZ2 4.16Å; F621-W633 AromaticContact CZ-NE1 3.5Å; C631-W633 VanDerWaalsContact C-N 3.25Å; C631-W633 PolarHBondContact O-N 2.98Å; W633-R635 VanDerWaalsContact C-N 3.27Å; W633-R635 PolarHBondContact O-N 2.79Å; W633-L636 HydrophobicContact CE3-CD2 4.43Å; W633-L636 WeakPolarHBondContact O-CB 3.27Å; W633-L636 PolarHBondContact O-N 2.71Å; W633-L636 VanDerWaalsContact O-N 3.14Å; W633-E637 WeakPolarHBondContact O-CG 3.47Å; W633-E637 PolarHBondContact O-N 2.97Å; W633-F671 HydrophobicContact CH2-CD2 4.18Å; W633-F671 AromaticContact CH2-CE2 3.94Å; W633-F671 HydrophobicContact CH2-CE2 3.94Å; W633-F671 HydrophobicContact CH2-CZ 4.49Å; W633-F671 HydrophobicContact CZ2-CD2 4.12Å; W633-F671 AromaticContact CZ2-CE2 3.85Å; W633-F671 HydrophobicContact CZ2-CE2 3.85Å; W633-V674 HydrophobicContact CE3-CG1 4.39Å; W633-V674 HydrophobicContact CH2-CB 4.25Å; W633-V674 HydrophobicContact CH2-CG1 3.76Å; W633-V674 HydrophobicContact CZ2-CG1 4.43Å; W633-V674 HydrophobicContact CZ3-CB 4.49Å; W633-V674 HydrophobicContact CZ3-CG1 3.74Å; W633-A675 HydrophobicContact CZ3-CB 4.46Å; W633-N678 HydrophobicContact CE3-CB 4.36Å; W633-R1014 HydrophobicContact CB-CB 4.3Å; W633-R1014 HydrophobicContact CB-CG 4.48Å; W633-R1014 HydrophobicContact CD2-CB 3.88Å; W633-R1014 HydrophobicContact CD2-CG 4.02Å; W633-R1014 HydrophobicContact CE3-CG 4.19Å; W633-R1014 HydrophobicContact CG-CB 3.75Å; W633-R1014 HydrophobicContact CG-CG 4.16Å; W633-R1014 PolarHBondContact NE1-O 2.82Å; W633-L1017 HydrophobicContact CH2-CD1 4.43Å; W633-L1017 HydrophobicContact CZ2-CB 4.39Å; W633-L1017 HydrophobicContact CZ2-CD1 4.27Å; W633-S1018 PolarHBondContact NE1-OG 2.85Å
634	E	96.7	Very high	96.7	Very high	52 Å²	52	28.1 Å²	28.1	24%	0.243	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-38.9	175.6	-66.8	177.3	-171.2	0	0	110.6	C631 Q638 R1033	C631-E634 HydrophobicContact CB-CB 3.91Å; C631-E634 HydrophobicContact CB-CG 3.72Å; C631-E634 PolarHBondContact O-N 3.34Å; E634-Q638 VanDerWaalsContact O-CB 3.26Å; E634-Q638 WeakPolarHBondContact O-CB 3.28Å; E634-Q638 WeakPolarHBondContact O-CG 3.34Å; E634-Q638 PolarHBondContact O-N 2.85Å; E634-R1033 IonicContact OE1-CZ 2.66Å; E634-R1033 IonicContact OE1-NH1 3.65Å; E634-R1033 PolarHBondContact OE1-NH1 3.26Å; E634-R1033 IonicContact OE1-NH2 3.22Å; E634-R1033 PolarHBondContact OE1-NH2 2.83Å; E634-R1033 IonicContact OE2-NH2 2.79Å
635	R	97.9	Very high	96.7	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-57.3	-50.2	171.8	176.4	-171.9	-73.6	-153.7	-5.8	111.8	V591 T593 E630 C631 P632 W633 L639	V591-R635 PolarHBondContact O-NH1 2.69Å; V591-R635 PolarHBondContact O-NH2 3.47Å; T593-R635 HydrophobicContact CG2-CB 3.97Å; T593-R635 HydrophobicContact CG2-CG 3.96Å; T593-R635 WeakPolarHBondContact OG1-CB 3.42Å; T593-R635 PolarHBondContact OG1-NE 3.36Å; E630-R635 IonicContact OE1-CZ 3.71Å; E630-R635 IonicContact OE1-NE 2.73Å; E630-R635 IonicContact OE1-NH2 3.14Å; E630-R635 PolarHBondContact OE1-NH2 2.78Å; E630-R635 IonicContact OE2-NH2 3.26Å; C631-R635 PolarHBondContact O-N 3.06Å; C631-R635 VanDerWaalsContact O-N 3.08Å; P632-R635 WeakPolarHBondContact O-CB 3.49Å; W633-R635 VanDerWaalsContact C-N 3.27Å; W633-R635 PolarHBondContact O-N 2.79Å; R635-L639 HydrophobicContact CG-CD1 3.89Å; R635-L639 WeakPolarHBondContact O-CB 3.35Å; R635-L639 WeakPolarHBondContact O-CG 3.47Å; R635-L639 PolarHBondContact O-N 3.32Å
636	L	98.2	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-51	-179.8	170.8	60.2	0	0	0	111.5	W616 P632 W633 L639 R640 F648 N678 I680	W616-L636 HydrophobicContact CD2-CD2 4.22Å; W616-L636 HydrophobicContact CE3-CD2 4.24Å; W616-L636 HydrophobicContact CH2-CD2 4.2Å; W616-L636 HydrophobicContact CZ2-CB 4.28Å; W616-L636 HydrophobicContact CZ2-CD2 4.16Å; W616-L636 HydrophobicContact CZ3-CD2 4.24Å; P632-L636 PolarHBondContact O-N 3.43Å; P632-L636 VanDerWaalsContact O-N 3.09Å; W633-L636 HydrophobicContact CE3-CD2 4.43Å; W633-L636 WeakPolarHBondContact O-CB 3.27Å; W633-L636 PolarHBondContact O-N 2.71Å; W633-L636 VanDerWaalsContact O-N 3.14Å; L636-L639 PolarHBondContact O-N 3.45Å; L636-R640 VanDerWaalsContact O-CB 3.31Å; L636-R640 WeakPolarHBondContact O-CB 3.45Å; L636-R640 PolarHBondContact O-N 3.38Å; L636-F648 HydrophobicContact CD1-CD2 3.65Å; L636-F648 HydrophobicContact CD1-CE2 4.17Å; L636-N678 HydrophobicContact CD2-CB 3.99Å; L636-I680 HydrophobicContact CD1-CD1 3.47Å; L636-I680 VanDerWaalsContact CD1-CD1 3.47Å; L636-I680 HydrophobicContact CD1-CG1 4.12Å; L636-I680 HydrophobicContact CD2-CD1 4.01Å; L636-I680 HydrophobicContact CD2-CG1 3.8Å; L636-I680 HydrophobicContact CG-CD1 4.39Å
637	E	97.5	Very high	97	Very high	44 Å²	44	24.3 Å²	24.3	21%	0.206	12%	0.122	C	C	.	.	H	α-helix	trans	-65.3	-42.7	-177.6	-73.1	161.4	-146.3	0	0	112.3	W633 R640 N641 N678 R1014	W633-E637 WeakPolarHBondContact O-CG 3.47Å; W633-E637 PolarHBondContact O-N 2.97Å; E637-R640 PolarHBondContact O-N 2.97Å; E637-N641 WeakPolarHBondContact O-CB 3.37Å; E637-N641 PolarHBondContact O-N 2.83Å; E637-N641 PolarHBondContact O-ND2 2.78Å; E637-N678 HydrophobicContact CG-CB 4.23Å; E637-N678 PolarHBondContact OE1-OD1 3.4Å; E637-R1014 VanDerWaalsContact OE1-CD 3.29Å; E637-R1014 WeakPolarHBondContact OE1-CD 3.42Å; E637-R1014 IonicContact OE1-CZ 3.83Å; E637-R1014 IonicContact OE1-NE 2.75Å; E637-R1014 IonicContact OE1-NH1 3.15Å; E637-R1014 PolarHBondContact OE1-NH1 2.91Å; E637-R1014 IonicContact OE2-NH1 3.73Å; E637-R1014 PolarHBondContact OE2-NH1 2.83Å
638	Q	96.7	Very high	97.3	Very high	42 Å²	42	20.8 Å²	20.8	20%	0.196	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-43.5	177.6	-70.5	169.6	-2.3	0	0	111.1	L597 E634 N641 I642	L597-Q638 HydrophobicContact CD1-CB 4.21Å; L597-Q638 HydrophobicContact CD2-CB 3.61Å; E634-Q638 VanDerWaalsContact O-CB 3.26Å; E634-Q638 WeakPolarHBondContact O-CB 3.28Å; E634-Q638 WeakPolarHBondContact O-CG 3.34Å; E634-Q638 PolarHBondContact O-N 2.85Å; Q638-N641 PolarHBondContact O-N 2.62Å; Q638-I642 WeakPolarHBondContact O-CG1 3.47Å; Q638-I642 PolarHBondContact O-N 3.34Å
639	L	97.9	Very high	97.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.5	-42.6	173.9	-77.2	170.4	0	0	0	111.7	M579 L596 L597 R635 L636 N641 I642 I643 F648	M579-L639 HydrophobicContact SD-CD2 4.41Å; L596-L639 HydrophobicContact CB-CD1 4.43Å; L596-L639 HydrophobicContact CB-CD2 4.05Å; L596-L639 HydrophobicContact CD1-CD1 4.45Å; L597-L639 HydrophobicContact CD2-CD2 3.96Å; L597-L639 HydrophobicContact CD2-CG 4.04Å; R635-L639 HydrophobicContact CG-CD1 3.89Å; R635-L639 WeakPolarHBondContact O-CB 3.35Å; R635-L639 WeakPolarHBondContact O-CG 3.47Å; R635-L639 PolarHBondContact O-N 3.32Å; L636-L639 PolarHBondContact O-N 3.45Å; L639-N641 VanDerWaalsContact C-N 3.32Å; L639-N641 PolarHBondContact O-N 2.76Å; L639-I642 HydrophobicContact CD2-CD1 4.15Å; L639-I642 WeakPolarHBondContact O-CG1 3.11Å; L639-I642 PolarHBondContact O-N 2.95Å; L639-I643 HydrophobicContact CD2-CD1 4.46Å; L639-I643 PolarHBondContact O-N 3.22Å; L639-F648 HydrophobicContact CB-CE2 3.76Å; L639-F648 HydrophobicContact CB-CZ 3.79Å
640	R	98	Very high	97.5	Very high	19 Å²	19	19.4 Å²	19.4	7%	0.072	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-39.5	-179.6	177.8	51.1	57.3	-168.2	20.8	111.9	L636 E637 I642 I643 I646 F648 G679 D681	L636-R640 VanDerWaalsContact O-CB 3.31Å; L636-R640 WeakPolarHBondContact O-CB 3.45Å; L636-R640 PolarHBondContact O-N 3.38Å; E637-R640 PolarHBondContact O-N 2.97Å; R640-I642 VanDerWaalsContact C-N 3.27Å; R640-I642 PolarHBondContact O-N 3.09Å; R640-I643 PolarHBondContact NH1-O 3.08Å; R640-I643 CarbonylContact O-C 3.56Å; R640-I643 PolarHBondContact O-N 2.99Å; R640-I646 PolarHBondContact NH1-O 3.03Å; R640-F648 HydrophobicContact CB-CE2 3.88Å; R640-F648 VanDerWaalsContact CZ-CD2 3.43Å; R640-F648 VanDerWaalsContact CZ-CG 3.44Å; R640-G679 PolarHBondContact NE-O 3.35Å; R640-G679 VanDerWaalsContact NE-O 3.12Å; R640-G679 PolarHBondContact NH2-O 2.95Å; R640-D681 IonicContact CZ-OD2 2.69Å; R640-D681 IonicContact NH1-OD2 3.38Å; R640-D681 IonicContact NH2-OD2 3.54Å; R640-D681 PolarHBondContact NH2-OD2 2.66Å
641	N	96.1	Very high	97.5	Very high	132 Å²	132	19.7 Å²	19.7	71%	0.706	10%	0.102	S	C	*	.	H	α-helix	trans	-63.4	-33.4	177.3	-72.8	-26.2	0	0	0	112.5	E637 Q638 L639	E637-N641 WeakPolarHBondContact O-CB 3.37Å; E637-N641 PolarHBondContact O-N 2.83Å; E637-N641 PolarHBondContact O-ND2 2.78Å; Q638-N641 PolarHBondContact O-N 2.62Å; L639-N641 VanDerWaalsContact C-N 3.32Å; L639-N641 PolarHBondContact O-N 2.76Å
642	I	95.1	Very high	97.4	Very high	49 Å²	49	19.2 Å²	19.2	25%	0.251	10%	0.098	S	C	.	.	H	α-helix	trans	-90.3	-25.3	179.8	64	170.1	0	0	0	113.6	L597 A604 Q638 L639 R640 P644	L597-I642 HydrophobicContact CB-CD1 4.39Å; L597-I642 HydrophobicContact CD2-CD1 3.78Å; L597-I642 WeakPolarHBondContact O-CD1 3.46Å; A604-I642 WeakPolarHBondContact CB-O 3.45Å; Q638-I642 WeakPolarHBondContact O-CG1 3.47Å; Q638-I642 PolarHBondContact O-N 3.34Å; L639-I642 HydrophobicContact CD2-CD1 4.15Å; L639-I642 WeakPolarHBondContact O-CG1 3.11Å; L639-I642 PolarHBondContact O-N 2.95Å; R640-I642 VanDerWaalsContact C-N 3.27Å; R640-I642 PolarHBondContact O-N 3.09Å; I642-P644 VanDerWaalsContact C-CD 3.48Å; I642-P644 WeakPolarHBondContact O-CD 3.49Å
643	I	97.5	Very high	97.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.			trans	-119.4	80.4	175.8	-55.2	153.9	0	0	0	109.4	G600 A604 I613 L639 R640 I646 F648	G600-I643 VanDerWaalsContact O-CG1 3.28Å; G600-I643 WeakPolarHBondContact O-CG1 3.45Å; A604-I643 HydrophobicContact CB-CB 4.39Å; A604-I643 HydrophobicContact CB-CG1 4.19Å; A604-I643 HydrophobicContact CB-CG2 4.34Å; I613-I643 HydrophobicContact CD1-CD1 4.07Å; I613-I643 HydrophobicContact CD1-CG2 4.13Å; L639-I643 HydrophobicContact CD2-CD1 4.46Å; L639-I643 PolarHBondContact O-N 3.22Å; R640-I643 PolarHBondContact NH1-O 3.08Å; R640-I643 CarbonylContact O-C 3.56Å; R640-I643 PolarHBondContact O-N 2.99Å; I643-I646 HydrophobicContact CG2-CB 3.82Å; I643-I646 HydrophobicContact CG2-CD1 4.04Å; I643-I646 HydrophobicContact CG2-CG1 4.13Å; I643-F648 HydrophobicContact CB-CE1 3.96Å; I643-F648 HydrophobicContact CB-CZ 4.01Å; I643-F648 HydrophobicContact CD1-CE1 4.12Å; I643-F648 HydrophobicContact CD1-CZ 4.15Å; I643-F648 HydrophobicContact CG2-CE1 3.99Å
644	P	96.8	Very high	96.5	Very high	46 Å²	46	19.7 Å²	19.7	30%	0.299	10%	0.1	S	C	.	.			trans	-83.8	-15.9	-176.2	32.2	-36	0	0	0	114.3	I546 R551 I642	I546-P644 HydrophobicContact CD1-CG 3.6Å; I546-P644 HydrophobicContact CG2-CG 4.22Å; R551-P644 WeakPolarHBondContact CD-O 3.35Å; R551-P644 PolarHBondContact NH1-O 3.29Å; I642-P644 VanDerWaalsContact C-CD 3.48Å; I642-P644 WeakPolarHBondContact O-CD 3.49Å
645	N	97.5	Very high	95.9	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.016	9%	0.089	C	C	.	.	S	Bend	trans	-105.1	-16.3	-166.2	60.8	-31.2	0	0	0	115.2	I546 P547 G549 W550 R551 A604	I546-N645 HydrophobicContact CG2-CB 3.99Å; I546-N645 VanDerWaalsContact CG2-CG 3.47Å; I546-N645 WeakPolarHBondContact CG2-ND2 3.28Å; P547-N645 WeakPolarHBondContact O-CB 3.47Å; P547-N645 PolarHBondContact O-ND2 2.95Å; G549-N645 CarbonylContact C-O 3.57Å; G549-N645 VanDerWaalsContact C-O 3.31Å; G549-N645 WeakPolarHBondContact CA-O 3.48Å; W550-N645 PolarHBondContact N-O 2.75Å; R551-N645 VanDerWaalsContact CB-C 3.48Å; R551-N645 WeakPolarHBondContact CB-O 3.42Å; R551-N645 PolarHBondContact N-O 3.5Å; A604-N645 PolarHBondContact O-ND2 3.34Å
646	I	98.4	Very high	95.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-105.8	132	178.5	-56.1	167.2	0	0	0	109.6	L603 M607 L610 I613 R640 I643	L603-I646 HydrophobicContact CB-CD1 4.43Å; L603-I646 WeakPolarHBondContact O-CD1 3.34Å; M607-I646 WeakPolarHBondContact O-CD1 3.49Å; L610-I646 HydrophobicContact CB-CD1 4.33Å; L610-I646 HydrophobicContact CB-CG2 4.12Å; L610-I646 HydrophobicContact CD1-CD1 4.4Å; I613-I646 HydrophobicContact CD1-CB 4.21Å; I613-I646 HydrophobicContact CD1-CD1 4.02Å; I613-I646 HydrophobicContact CD1-CG2 3.96Å; I613-I646 HydrophobicContact CG1-CG2 3.85Å; R640-I646 PolarHBondContact NH1-O 3.03Å; I643-I646 HydrophobicContact CG2-CB 3.82Å; I643-I646 HydrophobicContact CG2-CD1 4.04Å; I643-I646 HydrophobicContact CG2-CG1 4.13Å
647	P	98.7	Very high	94.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.			trans	-57.7	138.7	176	-26.3	35.3	0	0	0	112.2	W550 R551 F562 F611 S612 I613 D681 I682	W550-P647 HydrophobicContact CB-CG 3.77Å; R551-P647 HydrophobicContact CB-CG 4Å; F562-P647 HydrophobicContact CZ-CG 4.21Å; F611-P647 WeakPolarHBondContact O-CD 3.38Å; F611-P647 WeakPolarHBondContact O-CG 3.47Å; S612-P647 CarbonylContact C-O 3.58Å; S612-P647 VanDerWaalsContact CA-O 3.25Å; S612-P647 WeakPolarHBondContact CA-O 3.41Å; S612-P647 WeakPolarHBondContact CB-O 3.49Å; I613-P647 PolarHBondContact N-O 3.18Å; P647-D681 WeakPolarHBondContact CA-OD2 3.49Å; P647-D681 HydrophobicContact CB-CB 4.14Å; P647-I682 HydrophobicContact CB-CD1 3.86Å; P647-I682 HydrophobicContact CB-CG1 4.28Å
648	F	98.8	Very high	94.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.1	168.8	-71.1	-6.9	0	0	0	109.5	I613 N615 L636 L639 R640 I643 I680 D681 I682	I613-F648 HydrophobicContact CB-CD1 4.39Å; I613-F648 HydrophobicContact CD1-CE1 4.4Å; I613-F648 WeakPolarHBondContact O-CA 3.21Å; N615-F648 VanDerWaalsContact ND2-CD1 3.25Å; N615-F648 WeakPolarHBondContact ND2-CD1 3.06Å; N615-F648 WeakPolarHBondContact ND2-CD2 3.3Å; N615-F648 VanDerWaalsContact ND2-CE1 3.32Å; N615-F648 WeakPolarHBondContact ND2-CE1 3.49Å; N615-F648 WeakPolarHBondContact ND2-CE2 3.27Å; N615-F648 WeakPolarHBondContact ND2-CG 3.5Å; N615-F648 VanDerWaalsContact ND2-CZ 3.28Å; N615-F648 WeakPolarHBondContact ND2-CZ 3.06Å; L636-F648 HydrophobicContact CD1-CD2 3.65Å; L636-F648 HydrophobicContact CD1-CE2 4.17Å; L639-F648 HydrophobicContact CB-CE2 3.76Å; L639-F648 HydrophobicContact CB-CZ 3.79Å; R640-F648 HydrophobicContact CB-CE2 3.88Å; R640-F648 VanDerWaalsContact CZ-CD2 3.43Å; R640-F648 VanDerWaalsContact CZ-CG 3.44Å; I643-F648 HydrophobicContact CB-CE1 3.96Å; I643-F648 HydrophobicContact CB-CZ 4.01Å; I643-F648 HydrophobicContact CD1-CE1 4.12Å; I643-F648 HydrophobicContact CD1-CZ 4.15Å; I643-F648 HydrophobicContact CG2-CE1 3.99Å; F648-I680 HydrophobicContact CB-CD1 4.25Å; F648-D681 PolarHBondContact N-OD2 2.9Å; F648-D681 PolarHBondContact O-N 3.29Å; F648-I682 PolarHBondContact O-N 3.42Å
649	Q	98.8	Very high	93.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	139.9	177.1	-173.9	173.3	-68.7	0	0	110.1	S612 I613 E614 N615 I682 R684 H778	S612-Q649 PolarHBondContact OG-OE1 3.4Å; I613-Q649 PolarHBondContact O-N 3.34Å; E614-Q649 WeakPolarHBondContact CA-O 3.28Å; E614-Q649 HydrophobicContact CB-CB 4.28Å; E614-Q649 HydrophobicContact CG-CB 4.3Å; E614-Q649 HydrophobicContact CG-CG 4.28Å; N615-Q649 PolarHBondContact N-O 3.05Å; Q649-I682 CarbonylContact C-O 3.46Å; Q649-I682 VanDerWaalsContact CA-O 3.29Å; Q649-I682 WeakPolarHBondContact CA-O 3.2Å; Q649-I682 HydrophobicContact CB-CB 4.15Å; Q649-I682 HydrophobicContact CG-CB 4.06Å; Q649-I682 HydrophobicContact CG-CG2 3.99Å; Q649-R684 VanDerWaalsContact NE2-NH2 3.13Å; Q649-H778 PolarHBondContact OE1-CE1 3.45Å; Q649-H778 VanDerWaalsContact OE1-CE1 3.32Å
650	M	98.3	Very high	92.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.8	169.5	78.6	172.1	-71.3	0	0	112.6	W616 L652 V658 F671 A675 I680 I682 F683 R684	W616-M650 HydrophobicContact CB-CB 4.01Å; W616-M650 HydrophobicContact CE3-CE 4.07Å; W616-M650 HydrophobicContact CE3-SD 4.03Å; W616-M650 HydrophobicContact CZ3-CE 4.45Å; W616-M650 HydrophobicContact CZ3-SD 4.45Å; W616-M650 VanDerWaalsContact O-CA 3.24Å; W616-M650 WeakPolarHBondContact O-CA 3.35Å; W616-M650 WeakPolarHBondContact O-CB 3.29Å; M650-L652 HydrophobicContact CE-CB 4.37Å; M650-L652 HydrophobicContact CE-CD1 3.74Å; M650-L652 HydrophobicContact SD-CD1 4.35Å; M650-V658 HydrophobicContact CE-CG1 3.68Å; M650-F671 HydrophobicContact CE-CE1 3.72Å; M650-F671 HydrophobicContact CE-CZ 3.95Å; M650-F671 HydrophobicContact SD-CE1 4.15Å; M650-A675 HydrophobicContact SD-CB 4.45Å; M650-I680 HydrophobicContact CB-CD1 4.16Å; M650-I680 HydrophobicContact CB-CG2 4.1Å; M650-I680 HydrophobicContact CG-CG2 3.68Å; M650-I680 HydrophobicContact SD-CG1 4.11Å; M650-I680 HydrophobicContact SD-CG2 3.94Å; M650-I682 PolarHBondContact N-O 3.38Å; M650-F683 HydrophobicContact CG-CD1 3.62Å; M650-F683 HydrophobicContact CG-CE1 4.01Å; M650-F683 HydrophobicContact CG-CG 4.19Å; M650-F683 HydrophobicContact SD-CD1 3.47Å; M650-F683 WeakPolarHBondContact SD-CD1 3.48Å; M650-F683 HydrophobicContact SD-CE1 3.32Å; M650-F683 WeakPolarHBondContact SD-CE1 3.32Å; M650-F683 HydrophobicContact SD-CZ 4.28Å; M650-R684 PolarHBondContact O-N 3.15Å
651	L	96.3	Very high	91.8	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.052	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.9	167.7	-175	69.9	0	0	0	110.1	W616 G617 G618 R684 F686 K750	W616-L651 PolarHBondContact O-N 2.95Å; G617-L651 WeakPolarHBondContact CA-O 3.45Å; G618-L651 PolarHBondContact N-O 2.68Å; L651-R684 HydrophobicContact CD1-CB 4.27Å; L651-R684 HydrophobicContact CD1-CG 4.04Å; L651-F686 HydrophobicContact CD1-CD1 3.49Å; L651-F686 VanDerWaalsContact CD1-CD1 3.49Å; L651-F686 HydrophobicContact CD1-CE1 3.73Å; L651-F686 HydrophobicContact CD1-CG 4.33Å; L651-F686 HydrophobicContact CD2-CE1 3.93Å; L651-F686 HydrophobicContact CD2-CZ 4.37Å; L651-F686 HydrophobicContact CG-CD1 3.91Å; L651-F686 HydrophobicContact CG-CE1 3.6Å; L651-K750 HydrophobicContact CD1-CD 4.22Å
652	L	95.4	Very high	91.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.6	-177.8	-170.7	81.6	0	0	0	110.5	M650 A657 F671 F683 R684 I685 F686 V702	M650-L652 HydrophobicContact CE-CB 4.37Å; M650-L652 HydrophobicContact CE-CD1 3.74Å; M650-L652 HydrophobicContact SD-CD1 4.35Å; L652-A657 HydrophobicContact CD1-CB 3.85Å; L652-F671 HydrophobicContact CD1-CD1 3.93Å; L652-F671 HydrophobicContact CD1-CE1 3.64Å; L652-F683 HydrophobicContact CB-CD1 4.44Å; L652-F683 HydrophobicContact CD2-CD1 4.11Å; L652-R684 PolarHBondContact N-O 3.19Å; L652-I685 HydrophobicContact CD2-CG1 4.1Å; L652-I685 WeakPolarHBondContact O-CA 3.46Å; L652-F686 VanDerWaalsContact O-CD1 3.26Å; L652-F686 WeakPolarHBondContact O-CD1 3.3Å; L652-F686 PolarHBondContact O-N 3.48Å; L652-V702 HydrophobicContact CD2-CG2 3.7Å
653	R	91.1	Very high	90.8	Very high	14 Å²	14	17 Å²	17	5%	0.053	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.6	170.5	-167.7	167.3	80.2	-124.7	-0.8	109.3	A655 N656 A657 G659 Y660 F686	R653-A655 PolarHBondContact O-N 2.91Å; R653-N656 HydrophobicContact CB-CB 4.24Å; R653-N656 HydrophobicContact CG-CB 4.31Å; R653-N656 VanDerWaalsContact CZ-CB 3.47Å; R653-N656 VanDerWaalsContact CZ-CG 3.45Å; R653-N656 PolarHBondContact NE-OD1 3.29Å; R653-N656 PolarHBondContact NH2-ND2 3.34Å; R653-N656 CarbonylContact O-C 3.55Å; R653-N656 PolarHBondContact O-N 2.58Å; R653-A657 PolarHBondContact N-O 2.82Å; R653-A657 WeakPolarHBondContact O-CA 3.25Å; R653-A657 PolarHBondContact O-N 2.94Å; R653-G659 PolarHBondContact NH1-O 2.98Å; R653-G659 PolarHBondContact NH2-O 2.82Å; R653-Y660 VanDerWaalsContact NH2-C 3.3Å; R653-F686 WeakPolarHBondContact CA-O 3.3Å; R653-F686 HydrophobicContact CB-CE1 3.9Å; R653-F686 HydrophobicContact CB-CZ 4.08Å; R653-F686 HydrophobicContact CG-CE1 4.39Å; R653-F686 HydrophobicContact CG-CZ 4.21Å
654	G	84.7	Confident	90.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-56.2	-164.9	0	0	0	0	0	115.1	N656 F686 N694 M697	G654-N656 PolarHBondContact O-N 2.95Å; G654-F686 PolarHBondContact N-O 2.97Å; G654-N694 WeakPolarHBondContact CA-O 3.45Å; G654-M697 VanDerWaalsContact O-CE 3.22Å; G654-M697 WeakPolarHBondContact O-CE 3.21Å
655	A	83.3	Confident	90.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.008	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.1	-178.2	0	0	0	0	0	116.4	R653 N662 N694 M697	R653-A655 PolarHBondContact O-N 2.91Å; A655-N662 WeakPolarHBondContact CB-OD1 3.47Å; A655-N694 HydrophobicContact CB-CB 3.85Å; A655-N694 VanDerWaalsContact CB-OD1 3.32Å; A655-N694 WeakPolarHBondContact CB-OD1 3.3Å; A655-M697 VanDerWaalsContact CA-CE 3.4Å; A655-M697 HydrophobicContact CB-CE 3.98Å
656	N	85	Confident	90.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.8	-5.5	-168.5	-46.7	81.2	0	0	0	113.5	R653 G654 V658 G659 K661 N662 Y663	R653-N656 HydrophobicContact CB-CB 4.24Å; R653-N656 HydrophobicContact CG-CB 4.31Å; R653-N656 VanDerWaalsContact CZ-CB 3.47Å; R653-N656 VanDerWaalsContact CZ-CG 3.45Å; R653-N656 PolarHBondContact NE-OD1 3.29Å; R653-N656 PolarHBondContact NH2-ND2 3.34Å; R653-N656 CarbonylContact O-C 3.55Å; R653-N656 PolarHBondContact O-N 2.58Å; G654-N656 PolarHBondContact O-N 2.95Å; N656-V658 PolarHBondContact O-N 3.47Å; N656-G659 PolarHBondContact O-N 3.23Å; N656-K661 PolarHBondContact ND2-O 2.8Å; N656-N662 VanDerWaalsContact CG-OD1 3.32Å; N656-N662 PolarHBondContact ND2-N 2.99Å; N656-N662 PolarHBondContact ND2-OD1 2.99Å; N656-N662 PolarHBondContact OD1-OD1 3.42Å; N656-Y663 HydrophobicContact CB-CE2 4.42Å; N656-Y663 VanDerWaalsContact O-CE2 3.27Å; N656-Y663 WeakPolarHBondContact O-CE2 3.21Å
657	A	89.9	Confident	90	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	50.2	-103.4	-167	0	0	0	0	0	111.5	L652 R653 I668 F671	L652-A657 HydrophobicContact CD1-CB 3.85Å; R653-A657 PolarHBondContact N-O 2.82Å; R653-A657 WeakPolarHBondContact O-CA 3.25Å; R653-A657 PolarHBondContact O-N 2.94Å; A657-I668 HydrophobicContact CB-CD1 3.92Å; A657-F671 HydrophobicContact CB-CB 4.3Å; A657-F671 HydrophobicContact CB-CD1 3.64Å; A657-F671 HydrophobicContact CB-CD2 4.37Å; A657-F671 HydrophobicContact CB-CE1 4.04Å; A657-F671 HydrophobicContact CB-CG 3.83Å
658	V	89.8	Confident	89.8	Confident	9 Å²	9	19.9 Å²	19.9	6%	0.055	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-1.1	179	-65.4	0	0	0	0	113.2	F621 M650 N656 F671 L1021 Y1022	F621-V658 HydrophobicContact CB-CB 3.97Å; F621-V658 HydrophobicContact CB-CG1 4.38Å; F621-V658 HydrophobicContact CB-CG2 3.93Å; F621-V658 HydrophobicContact CD1-CG2 3.73Å; F621-V658 HydrophobicContact CD2-CG2 3.92Å; F621-V658 HydrophobicContact CE1-CG2 4.18Å; F621-V658 HydrophobicContact CE2-CG2 4.34Å; F621-V658 HydrophobicContact CG-CB 4.19Å; F621-V658 HydrophobicContact CG-CG2 3.58Å; F621-V658 HydrophobicContact CZ-CG2 4.46Å; M650-V658 HydrophobicContact CE-CG1 3.68Å; N656-V658 PolarHBondContact O-N 3.47Å; V658-F671 HydrophobicContact CB-CZ 4.44Å; V658-F671 HydrophobicContact CG1-CE1 4.22Å; V658-F671 HydrophobicContact CG1-CE2 4.39Å; V658-F671 HydrophobicContact CG1-CZ 3.65Å; V658-F671 HydrophobicContact CG2-CE2 3.76Å; V658-F671 HydrophobicContact CG2-CZ 3.9Å; V658-L1021 HydrophobicContact CG2-CD1 3.77Å; V658-Y1022 HydrophobicContact CG2-CE2 4.46Å; V658-Y1022 PolarHBondContact O-OH 3.23Å
659	G	84.8	Confident	89.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-83.7	-174.2	-174.7	0	0	0	0	0	115.5	R653 N656 Y663 Y1022	R653-G659 PolarHBondContact NH1-O 2.98Å; R653-G659 PolarHBondContact NH2-O 2.82Å; N656-G659 PolarHBondContact O-N 3.23Å; G659-Y663 WeakPolarHBondContact CA-OH 3.4Å; G659-Y1022 WeakPolarHBondContact CA-OH 3.35Å
660	Y	73.7	Confident	89.6	Confident	102 Å²	102	25.7 Å²	25.7	40%	0.4	12%	0.116	S	C	.	.	S	Bend	trans	-107.4	-7.7	179.5	-63.3	-64.2	0	0	0	114.6	D622 R653 T917 Y1022	D622-Y660 HydrophobicContact CB-CE2 4.43Å; R653-Y660 VanDerWaalsContact NH2-C 3.3Å; Y660-T917 HydrophobicContact CE1-CG2 4.42Å; Y660-Y1022 AromaticContact CD2-CE1 3.62Å; Y660-Y1022 HydrophobicContact CD2-CE1 3.62Å; Y660-Y1022 AromaticContact CE2-CE1 3.61Å; Y660-Y1022 HydrophobicContact CE2-CE1 3.61Å; Y660-Y1022 AromaticContact CE2-CZ 3.99Å; Y660-Y1022 WeakPolarHBondContact CE2-OH 3.23Å
661	K	78.6	Confident	89.5	Confident	127 Å²	127	25.7 Å²	25.7	55%	0.552	12%	0.116	S	C	*	.	S	Bend	trans	-126.9	162	-178.4	-63.2	-171.7	175	-163.4	0	110.7	N656 Y663	N656-K661 PolarHBondContact ND2-O 2.8Å; K661-Y663 WeakPolarHBondContact O-CD2 3.38Å; K661-Y663 WeakPolarHBondContact O-CE2 3.5Å
662	N	81.5	Confident	89.6	Confident	15 Å²	15	25.2 Å²	25.2	8%	0.08	11%	0.113	C	C	.	.			trans	-70.9	139.2	170.9	-81.6	-19.4	0	0	0	109.6	A655 N656 E960 V987	A655-N662 WeakPolarHBondContact CB-OD1 3.47Å; N656-N662 VanDerWaalsContact CG-OD1 3.32Å; N656-N662 PolarHBondContact ND2-N 2.99Å; N656-N662 PolarHBondContact ND2-OD1 2.99Å; N656-N662 PolarHBondContact OD1-OD1 3.42Å; N662-E960 PolarHBondContact ND2-O 2.91Å; N662-V987 HydrophobicContact CB-CB 4.04Å; N662-V987 HydrophobicContact CB-CG1 4.22Å
663	Y	88.3	Confident	89.7	Confident	25 Å²	25	29.3 Å²	29.3	10%	0.098	13%	0.132	C	C	.	.			trans	-115.2	158.5	-180	-60.3	-77.4	0	0	0	110.1	N656 G659 K661 I667 I668 L1021	N656-Y663 HydrophobicContact CB-CE2 4.42Å; N656-Y663 VanDerWaalsContact O-CE2 3.27Å; N656-Y663 WeakPolarHBondContact O-CE2 3.21Å; G659-Y663 WeakPolarHBondContact CA-OH 3.4Å; K661-Y663 WeakPolarHBondContact O-CD2 3.38Å; K661-Y663 WeakPolarHBondContact O-CE2 3.5Å; Y663-I667 HydrophobicContact CD1-CD1 4.2Å; Y663-I668 HydrophobicContact CD2-CD1 4.17Å; Y663-L1021 HydrophobicContact CD1-CD2 4.21Å; Y663-L1021 HydrophobicContact CD2-CD2 3.72Å; Y663-L1021 HydrophobicContact CE1-CD2 3.94Å; Y663-L1021 HydrophobicContact CE2-CD2 3.45Å; Y663-L1021 VanDerWaalsContact CE2-CD2 3.45Å; Y663-L1021 HydrophobicContact CG-CD2 4.12Å; Y663-L1021 PolarHBondContact OH-O 3.18Å
664	P	91.7	Very high	90	Very high	15 Å²	15	28.6 Å²	28.6	10%	0.097	13%	0.13	C	C	.	.			trans	-54.9	142.2	165.9	-20.8	31.2	0	0	0	110.5	N666 I667 M991 E992 F994	P664-N666 WeakPolarHBondContact CB-OD1 3.44Å; P664-N666 PolarHBondContact O-N 3.35Å; P664-N666 VanDerWaalsContact O-N 3.13Å; P664-I667 WeakPolarHBondContact O-CB 3.09Å; P664-I667 PolarHBondContact O-N 2.9Å; P664-M991 HydrophobicContact CB-CB 4.11Å; P664-M991 HydrophobicContact CG-CB 3.86Å; P664-M991 HydrophobicContact CG-SD 4.2Å; P664-E992 WeakPolarHBondContact CG-O 3.34Å; P664-F994 HydrophobicContact CG-CB 4.28Å
665	D	92.7	Very high	90.7	Very high	43 Å²	43	28.6 Å²	28.6	23%	0.23	13%	0.13	C	C	.	.	H	α-helix	trans	-56.2	-36.7	-172.9	-67.4	-11.5	0	0	0	112.3	I667 I668 Y669 R986	D665-I667 PolarHBondContact O-N 2.88Å; D665-I667 VanDerWaalsContact O-N 3.13Å; D665-I668 WeakPolarHBondContact O-CA 3.43Å; D665-I668 WeakPolarHBondContact O-CB 3.38Å; D665-I668 PolarHBondContact O-N 3.23Å; D665-Y669 HydrophobicContact CB-CD2 4.38Å; D665-Y669 HydrophobicContact CB-CE2 4.41Å; D665-Y669 WeakPolarHBondContact O-CD2 3.01Å; D665-Y669 PolarHBondContact O-N 3.29Å; D665-R986 VanDerWaalsContact CG-NH2 3.34Å; D665-R986 IonicContact OD1-CZ 3.11Å; D665-R986 IonicContact OD1-NH1 2.7Å; D665-R986 PolarHBondContact OD1-NH1 3.38Å; D665-R986 IonicContact OD1-NH2 2.83Å; D665-R986 PolarHBondContact OD1-NH2 3.38Å; D665-R986 IonicContact OD2-CZ 3.18Å; D665-R986 IonicContact OD2-NH1 3.16Å; D665-R986 IonicContact OD2-NH2 3.96Å; D665-R986 PolarHBondContact OD2-NH2 3.48Å
666	N	94.4	Very high	91.3	Very high	52 Å²	52	30.5 Å²	30.5	28%	0.278	14%	0.141	S	C	.	.	H	α-helix	trans	-59.9	-26.7	179.6	77.4	-47.5	0	0	0	113.5	P664 K670 F994	P664-N666 WeakPolarHBondContact CB-OD1 3.44Å; P664-N666 PolarHBondContact O-N 3.35Å; P664-N666 VanDerWaalsContact O-N 3.13Å; N666-K670 WeakPolarHBondContact O-CB 3.23Å; N666-K670 PolarHBondContact O-N 2.76Å; N666-K670 VanDerWaalsContact O-N 3.12Å; N666-F994 PolarHBondContact ND2-N 3.36Å; N666-F994 PolarHBondContact ND2-O 3.24Å; N666-F994 PolarHBondContact OD1-N 2.91Å
667	I	95.1	Very high	91.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-68.5	-42.3	171.7	-60.1	-168.8	0	0	0	110.6	Y663 P664 D665 K670 F671 F994 F996 L1017 A1020 L1021	Y663-I667 HydrophobicContact CD1-CD1 4.2Å; P664-I667 WeakPolarHBondContact O-CB 3.09Å; P664-I667 PolarHBondContact O-N 2.9Å; D665-I667 PolarHBondContact O-N 2.88Å; D665-I667 VanDerWaalsContact O-N 3.13Å; I667-K670 PolarHBondContact O-N 3.31Å; I667-F671 VanDerWaalsContact O-CB 3.27Å; I667-F671 WeakPolarHBondContact O-CB 3.32Å; I667-F671 PolarHBondContact O-N 2.85Å; I667-F994 HydrophobicContact CD1-CB 3.64Å; I667-F994 HydrophobicContact CD1-CD1 4.22Å; I667-F994 HydrophobicContact CD1-CD2 3.9Å; I667-F994 HydrophobicContact CD1-CG 3.65Å; I667-F994 HydrophobicContact CG1-CB 3.62Å; I667-F994 HydrophobicContact CG1-CG 4.11Å; I667-F996 HydrophobicContact CG1-CZ 4.04Å; I667-L1017 HydrophobicContact CG2-CD2 4.36Å; I667-A1020 HydrophobicContact CD1-CB 4.19Å; I667-L1021 HydrophobicContact CG2-CD2 3.94Å; I667-L1021 HydrophobicContact CG2-CG 4.41Å
668	I	94.4	Very high	92.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-47.2	-176.8	-52.7	-57.4	0	0	0	110.7	A657 Y663 D665 K670 F671 C672 M697 A701	A657-I668 HydrophobicContact CB-CD1 3.92Å; Y663-I668 HydrophobicContact CD2-CD1 4.17Å; D665-I668 WeakPolarHBondContact O-CA 3.43Å; D665-I668 WeakPolarHBondContact O-CB 3.38Å; D665-I668 PolarHBondContact O-N 3.23Å; I668-K670 VanDerWaalsContact C-N 3.35Å; I668-K670 PolarHBondContact O-N 2.85Å; I668-F671 PolarHBondContact O-N 2.9Å; I668-C672 PolarHBondContact O-N 2.82Å; I668-C672 PolarHBondContact O-SG 2.88Å; I668-M697 HydrophobicContact CB-CE 4.29Å; I668-M697 HydrophobicContact CB-SD 4.22Å; I668-M697 HydrophobicContact CG1-CE 4.06Å; I668-M697 HydrophobicContact CG2-CE 4.04Å; I668-M697 HydrophobicContact CG2-SD 3.97Å; I668-A701 HydrophobicContact CG2-CB 4.09Å
669	Y	96	Very high	92.5	Very high	77 Å²	77	37.9 Å²	37.9	30%	0.302	18%	0.175	S	C	.	.	H	α-helix	trans	-57	-48.6	173.7	-83.7	-92	0	0	0	111.4	D665 F671 C672 E673 D700 A701 T704	D665-Y669 HydrophobicContact CB-CD2 4.38Å; D665-Y669 HydrophobicContact CB-CE2 4.41Å; D665-Y669 WeakPolarHBondContact O-CD2 3.01Å; D665-Y669 PolarHBondContact O-N 3.29Å; Y669-F671 VanDerWaalsContact C-N 3.33Å; Y669-F671 PolarHBondContact O-N 2.93Å; Y669-C672 PolarHBondContact O-N 3.29Å; Y669-E673 PolarHBondContact O-N 3.19Å; Y669-D700 PolarHBondContact OH-OD2 3.16Å; Y669-A701 HydrophobicContact CD1-CB 4.12Å; Y669-A701 HydrophobicContact CD2-CB 4.25Å; Y669-A701 HydrophobicContact CE1-CB 4.26Å; Y669-A701 HydrophobicContact CE2-CB 4.37Å; Y669-A701 HydrophobicContact CG-CB 4.14Å; Y669-T704 HydrophobicContact CD1-CG2 4.32Å; Y669-T704 HydrophobicContact CE1-CG2 4.26Å
670	K	96.3	Very high	93.2	Very high	45 Å²	45	37.9 Å²	37.9	20%	0.196	18%	0.175	C	C	.	.	H	α-helix	trans	-65.7	-37.1	-179.8	-169	61	178.2	176.4	0	112.3	N666 I667 I668 E673 V674 F996 E1013 L1017	N666-K670 WeakPolarHBondContact O-CB 3.23Å; N666-K670 PolarHBondContact O-N 2.76Å; N666-K670 VanDerWaalsContact O-N 3.12Å; I667-K670 PolarHBondContact O-N 3.31Å; I668-K670 VanDerWaalsContact C-N 3.35Å; I668-K670 PolarHBondContact O-N 2.85Å; K670-E673 VanDerWaalsContact CD-OE2 3.26Å; K670-E673 WeakPolarHBondContact CD-OE2 3.26Å; K670-E673 VanDerWaalsContact NZ-CD 3.34Å; K670-E673 IonicContact NZ-OE1 3.55Å; K670-E673 PolarHBondContact NZ-OE1 3.05Å; K670-E673 IonicContact NZ-OE2 3.37Å; K670-E673 PolarHBondContact NZ-OE2 2.76Å; K670-E673 VanDerWaalsContact NZ-OE2 3.14Å; K670-V674 HydrophobicContact CD-CG2 4.34Å; K670-V674 HydrophobicContact CG-CG2 4.45Å; K670-V674 WeakPolarHBondContact O-CB 3.07Å; K670-V674 VanDerWaalsContact O-CG2 3.27Å; K670-V674 WeakPolarHBondContact O-CG2 3.45Å; K670-V674 PolarHBondContact O-N 3.04Å; K670-F996 HydrophobicContact CB-CE2 4.45Å; K670-F996 HydrophobicContact CB-CZ 4.45Å; K670-F996 HydrophobicContact CG-CE2 4.49Å; K670-F996 HydrophobicContact CG-CZ 4.47Å; K670-E1013 WeakPolarHBondContact CE-OE1 3.48Å; K670-E1013 IonicContact NZ-OE1 3.58Å; K670-E1013 PolarHBondContact NZ-OE1 3.49Å; K670-L1017 HydrophobicContact CB-CD2 4.17Å; K670-L1017 HydrophobicContact CG-CD1 4.4Å; K670-L1017 HydrophobicContact CG-CD2 4.13Å
671	F	97.3	Very high	94.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-46.4	174.6	-179.7	-87.4	0	0	0	111.5	W616 F621 W633 M650 L652 A657 V658 I667 I668 Y669 V674 A675 L1017 L1021	W616-F671 HydrophobicContact CH2-CZ 4.38Å; W616-F671 HydrophobicContact CZ3-CE2 4.42Å; W616-F671 AromaticContact CZ3-CZ 3.79Å; W616-F671 HydrophobicContact CZ3-CZ 3.79Å; F621-F671 HydrophobicContact CD2-CE2 4.47Å; F621-F671 AromaticContact CE2-CE2 3.98Å; F621-F671 HydrophobicContact CE2-CE2 3.98Å; F621-F671 HydrophobicContact CZ-CE2 4.39Å; W633-F671 HydrophobicContact CH2-CD2 4.18Å; W633-F671 AromaticContact CH2-CE2 3.94Å; W633-F671 HydrophobicContact CH2-CE2 3.94Å; W633-F671 HydrophobicContact CH2-CZ 4.49Å; W633-F671 HydrophobicContact CZ2-CD2 4.12Å; W633-F671 AromaticContact CZ2-CE2 3.85Å; W633-F671 HydrophobicContact CZ2-CE2 3.85Å; M650-F671 HydrophobicContact CE-CE1 3.72Å; M650-F671 HydrophobicContact CE-CZ 3.95Å; M650-F671 HydrophobicContact SD-CE1 4.15Å; L652-F671 HydrophobicContact CD1-CD1 3.93Å; L652-F671 HydrophobicContact CD1-CE1 3.64Å; A657-F671 HydrophobicContact CB-CB 4.3Å; A657-F671 HydrophobicContact CB-CD1 3.64Å; A657-F671 HydrophobicContact CB-CD2 4.37Å; A657-F671 HydrophobicContact CB-CE1 4.04Å; A657-F671 HydrophobicContact CB-CG 3.83Å; V658-F671 HydrophobicContact CB-CZ 4.44Å; V658-F671 HydrophobicContact CG1-CE1 4.22Å; V658-F671 HydrophobicContact CG1-CE2 4.39Å; V658-F671 HydrophobicContact CG1-CZ 3.65Å; V658-F671 HydrophobicContact CG2-CE2 3.76Å; V658-F671 HydrophobicContact CG2-CZ 3.9Å; I667-F671 VanDerWaalsContact O-CB 3.27Å; I667-F671 WeakPolarHBondContact O-CB 3.32Å; I667-F671 PolarHBondContact O-N 2.85Å; I668-F671 PolarHBondContact O-N 2.9Å; Y669-F671 VanDerWaalsContact C-N 3.33Å; Y669-F671 PolarHBondContact O-N 2.93Å; F671-V674 PolarHBondContact O-N 2.78Å; F671-A675 HydrophobicContact CE1-CB 4.3Å; F671-A675 VanDerWaalsContact O-CB 3.23Å; F671-A675 WeakPolarHBondContact O-CB 3.43Å; F671-A675 PolarHBondContact O-N 3.22Å; F671-L1017 HydrophobicContact CB-CD2 4.21Å; F671-L1021 HydrophobicContact CD2-CD1 3.67Å; F671-L1021 HydrophobicContact CE2-CD1 3.95Å
672	C	97.4	Very high	95.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-44.6	179.4	-62.1	0	0	0	0	111.6	I668 Y669 V674 A675 V676 V702 A705	I668-C672 PolarHBondContact O-N 2.82Å; I668-C672 PolarHBondContact O-SG 2.88Å; Y669-C672 PolarHBondContact O-N 3.29Å; C672-V674 PolarHBondContact O-N 3.43Å; C672-A675 PolarHBondContact O-N 3Å; C672-V676 WeakPolarHBondContact O-CG2 3.49Å; C672-V676 PolarHBondContact O-N 2.65Å; C672-V702 HydrophobicContact CB-CG2 4.48Å; C672-A705 HydrophobicContact CB-CB 3.89Å
673	E	97.8	Very high	96.1	Very high	85 Å²	85	26.9 Å²	26.9	40%	0.397	13%	0.129	S	C	.	.	H	α-helix	trans	-54.5	-51.2	174.4	-176	-158.6	140.2	0	0	111.4	Y669 K670 V676 K677	Y669-E673 PolarHBondContact O-N 3.19Å; K670-E673 VanDerWaalsContact CD-OE2 3.26Å; K670-E673 WeakPolarHBondContact CD-OE2 3.26Å; K670-E673 VanDerWaalsContact NZ-CD 3.34Å; K670-E673 IonicContact NZ-OE1 3.55Å; K670-E673 PolarHBondContact NZ-OE1 3.05Å; K670-E673 IonicContact NZ-OE2 3.37Å; K670-E673 PolarHBondContact NZ-OE2 2.76Å; K670-E673 VanDerWaalsContact NZ-OE2 3.14Å; E673-V676 PolarHBondContact O-N 2.73Å; E673-K677 WeakPolarHBondContact O-CB 3.42Å; E673-K677 PolarHBondContact O-N 3.44Å
674	V	97.7	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70	-34.3	-178.6	177.6	0	0	0	0	111.3	W633 K670 F671 C672 K677 N678 E1013 R1014 L1017	W633-V674 HydrophobicContact CE3-CG1 4.39Å; W633-V674 HydrophobicContact CH2-CB 4.25Å; W633-V674 HydrophobicContact CH2-CG1 3.76Å; W633-V674 HydrophobicContact CZ2-CG1 4.43Å; W633-V674 HydrophobicContact CZ3-CB 4.49Å; W633-V674 HydrophobicContact CZ3-CG1 3.74Å; K670-V674 HydrophobicContact CD-CG2 4.34Å; K670-V674 HydrophobicContact CG-CG2 4.45Å; K670-V674 WeakPolarHBondContact O-CB 3.07Å; K670-V674 VanDerWaalsContact O-CG2 3.27Å; K670-V674 WeakPolarHBondContact O-CG2 3.45Å; K670-V674 PolarHBondContact O-N 3.04Å; F671-V674 PolarHBondContact O-N 2.78Å; C672-V674 PolarHBondContact O-N 3.43Å; V674-K677 PolarHBondContact O-N 3.49Å; V674-N678 VanDerWaalsContact CG1-ND2 3.32Å; V674-N678 WeakPolarHBondContact CG1-ND2 3.48Å; V674-N678 WeakPolarHBondContact O-CB 3.34Å; V674-N678 PolarHBondContact O-N 2.89Å; V674-N678 PolarHBondContact O-ND2 3.49Å; V674-E1013 HydrophobicContact CG2-CB 4.08Å; V674-R1014 HydrophobicContact CG1-CG 3.86Å; V674-L1017 HydrophobicContact CB-CD1 3.63Å; V674-L1017 HydrophobicContact CG1-CD1 3.94Å; V674-L1017 HydrophobicContact CG2-CD1 3.65Å
675	A	98	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-44.9	175.4	0	0	0	0	0	112.5	W616 W633 M650 F671 C672 N678 G679 I680 F683	W616-A675 HydrophobicContact CZ3-CB 4.47Å; W633-A675 HydrophobicContact CZ3-CB 4.46Å; M650-A675 HydrophobicContact SD-CB 4.45Å; F671-A675 HydrophobicContact CE1-CB 4.3Å; F671-A675 VanDerWaalsContact O-CB 3.23Å; F671-A675 WeakPolarHBondContact O-CB 3.43Å; F671-A675 PolarHBondContact O-N 3.22Å; C672-A675 PolarHBondContact O-N 3Å; A675-N678 PolarHBondContact O-N 3.1Å; A675-G679 PolarHBondContact O-N 3.42Å; A675-G679 VanDerWaalsContact O-N 3.17Å; A675-I680 HydrophobicContact CB-CB 4.35Å; A675-I680 HydrophobicContact CB-CG1 4.23Å; A675-I680 PolarHBondContact O-N 2.81Å; A675-F683 HydrophobicContact CB-CE1 3.75Å; A675-F683 HydrophobicContact CB-CZ 3.69Å
676	V	97.6	Very high	97	Very high	41 Å²	41	23.5 Å²	23.5	25%	0.248	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-48	174	173.5	0	0	0	0	110.5	C672 E673 N678 G679 I680 F683 A705	C672-V676 WeakPolarHBondContact O-CG2 3.49Å; C672-V676 PolarHBondContact O-N 2.65Å; E673-V676 PolarHBondContact O-N 2.73Å; V676-N678 PolarHBondContact O-N 2.87Å; V676-G679 PolarHBondContact O-N 3.23Å; V676-I680 WeakPolarHBondContact CA-O 3.43Å; V676-F683 HydrophobicContact CG2-CE2 3.55Å; V676-F683 HydrophobicContact CG2-CZ 3.72Å; V676-A705 HydrophobicContact CG2-CB 3.87Å
677	K	96.9	Very high	97	Very high	136 Å²	136	21 Å²	21	59%	0.591	10%	0.098	S	C	*	.	H	α-helix	trans	-56.5	-34.5	179	-179.8	179.2	173.5	-177.8	0	113.2	E673 V674 E1013	E673-K677 WeakPolarHBondContact O-CB 3.42Å; E673-K677 PolarHBondContact O-N 3.44Å; V674-K677 PolarHBondContact O-N 3.49Å; K677-E1013 IonicContact NZ-OE2 2.8Å; K677-E1013 PolarHBondContact NZ-OE2 3.38Å
678	N	96.8	Very high	96.8	Very high	26 Å²	26	21 Å²	21	14%	0.139	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.2	-180	-68.2	-71.3	0	0	0	113.8	W633 L636 E637 V674 A675 V676	W633-N678 HydrophobicContact CE3-CB 4.36Å; L636-N678 HydrophobicContact CD2-CB 3.99Å; E637-N678 HydrophobicContact CG-CB 4.23Å; E637-N678 PolarHBondContact OE1-OD1 3.4Å; V674-N678 VanDerWaalsContact CG1-ND2 3.32Å; V674-N678 WeakPolarHBondContact CG1-ND2 3.48Å; V674-N678 WeakPolarHBondContact O-CB 3.34Å; V674-N678 PolarHBondContact O-N 2.89Å; V674-N678 PolarHBondContact O-ND2 3.49Å; A675-N678 PolarHBondContact O-N 3.1Å; V676-N678 PolarHBondContact O-N 2.87Å
679	G	96.5	Very high	96.8	Very high	5 Å²	5	21.1 Å²	21.1	5%	0.052	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.5	19.1	164.9	0	0	0	0	0	116.4	R640 A675 V676	R640-G679 PolarHBondContact NE-O 3.35Å; R640-G679 VanDerWaalsContact NE-O 3.12Å; R640-G679 PolarHBondContact NH2-O 2.95Å; A675-G679 PolarHBondContact O-N 3.42Å; A675-G679 VanDerWaalsContact O-N 3.17Å; V676-G679 PolarHBondContact O-N 3.23Å
680	I	98.5	Very high	96.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.086	C	C	.	.			trans	-75.9	131.8	159.3	-61.7	-58.4	0	0	0	108.7	W616 L636 F648 M650 A675 V676 F683	W616-I680 HydrophobicContact CB-CD1 3.71Å; W616-I680 HydrophobicContact CD2-CD1 4.2Å; W616-I680 HydrophobicContact CE3-CD1 3.96Å; W616-I680 HydrophobicContact CE3-CG1 3.93Å; W616-I680 HydrophobicContact CG-CD1 4.14Å; W616-I680 HydrophobicContact CZ3-CG1 4.45Å; L636-I680 HydrophobicContact CD1-CD1 3.47Å; L636-I680 VanDerWaalsContact CD1-CD1 3.47Å; L636-I680 HydrophobicContact CD1-CG1 4.12Å; L636-I680 HydrophobicContact CD2-CD1 4.01Å; L636-I680 HydrophobicContact CD2-CG1 3.8Å; L636-I680 HydrophobicContact CG-CD1 4.39Å; F648-I680 HydrophobicContact CB-CD1 4.25Å; M650-I680 HydrophobicContact CB-CD1 4.16Å; M650-I680 HydrophobicContact CB-CG2 4.1Å; M650-I680 HydrophobicContact CG-CG2 3.68Å; M650-I680 HydrophobicContact SD-CG1 4.11Å; M650-I680 HydrophobicContact SD-CG2 3.94Å; A675-I680 HydrophobicContact CB-CB 4.35Å; A675-I680 HydrophobicContact CB-CG1 4.23Å; A675-I680 PolarHBondContact O-N 2.81Å; V676-I680 WeakPolarHBondContact CA-O 3.43Å; I680-F683 HydrophobicContact CB-CE1 4.42Å; I680-F683 HydrophobicContact CB-CE2 4.08Å; I680-F683 HydrophobicContact CB-CZ 3.79Å; I680-F683 HydrophobicContact CG2-CD1 4.21Å; I680-F683 HydrophobicContact CG2-CD2 3.88Å; I680-F683 HydrophobicContact CG2-CE1 3.83Å; I680-F683 HydrophobicContact CG2-CE2 3.42Å; I680-F683 VanDerWaalsContact CG2-CE2 3.42Å; I680-F683 HydrophobicContact CG2-CG 4.24Å; I680-F683 HydrophobicContact CG2-CZ 3.4Å
681	D	98.5	Very high	96.6	Very high	12 Å²	12	17.7 Å²	17.7	6%	0.064	8%	0.084	C	C	.	.			trans	-107.4	-42.8	-177.3	-55.7	-61.4	0	0	0	111.6	R551 L554 R640 P647 F648 V708	R551-D681 WeakPolarHBondContact CD-OD2 3.43Å; R551-D681 IonicContact CZ-OD1 3.76Å; R551-D681 IonicContact NE-OD1 3.43Å; R551-D681 PolarHBondContact NE-OD1 3.26Å; R551-D681 IonicContact NE-OD2 3.47Å; R551-D681 PolarHBondContact NE-OD2 3.05Å; R551-D681 IonicContact NH2-OD1 3.64Å; R551-D681 PolarHBondContact NH2-OD1 3.34Å; L554-D681 HydrophobicContact CD2-CB 3.63Å; R640-D681 IonicContact CZ-OD2 2.69Å; R640-D681 IonicContact NH1-OD2 3.38Å; R640-D681 IonicContact NH2-OD2 3.54Å; R640-D681 PolarHBondContact NH2-OD2 2.66Å; P647-D681 WeakPolarHBondContact CA-OD2 3.49Å; P647-D681 HydrophobicContact CB-CB 4.14Å; F648-D681 PolarHBondContact N-OD2 2.9Å; F648-D681 PolarHBondContact O-N 3.29Å; D681-V708 PolarHBondContact O-N 2.87Å
682	I	98.6	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.6	-176.1	-53.4	172.5	0	0	0	109.7	F562 F611 P647 F648 Q649 M650 V708 E710	F562-I682 HydrophobicContact CE1-CD1 4.16Å; F562-I682 HydrophobicContact CZ-CD1 4.37Å; F611-I682 HydrophobicContact CE1-CD1 3.66Å; F611-I682 HydrophobicContact CE2-CD1 4.31Å; F611-I682 HydrophobicContact CZ-CD1 3.49Å; F611-I682 VanDerWaalsContact CZ-CD1 3.49Å; P647-I682 HydrophobicContact CB-CD1 3.86Å; P647-I682 HydrophobicContact CB-CG1 4.28Å; F648-I682 PolarHBondContact O-N 3.42Å; Q649-I682 CarbonylContact C-O 3.46Å; Q649-I682 VanDerWaalsContact CA-O 3.29Å; Q649-I682 WeakPolarHBondContact CA-O 3.2Å; Q649-I682 HydrophobicContact CB-CB 4.15Å; Q649-I682 HydrophobicContact CG-CB 4.06Å; Q649-I682 HydrophobicContact CG-CG2 3.99Å; M650-I682 PolarHBondContact N-O 3.38Å; I682-V708 HydrophobicContact CB-CB 4.38Å; I682-V708 HydrophobicContact CG1-CB 4.03Å; I682-V708 HydrophobicContact CG1-CG1 4.46Å; I682-V708 HydrophobicContact CG1-CG2 4.28Å; I682-V708 HydrophobicContact CG2-CB 4.39Å; I682-V708 HydrophobicContact CG2-CG1 4.42Å; I682-E710 HydrophobicContact CG2-CB 4.34Å
683	F	98.5	Very high	96.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.6	176.6	-64.5	-108	0	0	0	108.6	M650 L652 A675 V676 I680 I685 V702 V708 E710	M650-F683 HydrophobicContact CG-CD1 3.62Å; M650-F683 HydrophobicContact CG-CE1 4.01Å; M650-F683 HydrophobicContact CG-CG 4.19Å; M650-F683 HydrophobicContact SD-CD1 3.47Å; M650-F683 WeakPolarHBondContact SD-CD1 3.48Å; M650-F683 HydrophobicContact SD-CE1 3.32Å; M650-F683 WeakPolarHBondContact SD-CE1 3.32Å; M650-F683 HydrophobicContact SD-CZ 4.28Å; L652-F683 HydrophobicContact CB-CD1 4.44Å; L652-F683 HydrophobicContact CD2-CD1 4.11Å; A675-F683 HydrophobicContact CB-CE1 3.75Å; A675-F683 HydrophobicContact CB-CZ 3.69Å; V676-F683 HydrophobicContact CG2-CE2 3.55Å; V676-F683 HydrophobicContact CG2-CZ 3.72Å; I680-F683 HydrophobicContact CB-CE1 4.42Å; I680-F683 HydrophobicContact CB-CE2 4.08Å; I680-F683 HydrophobicContact CB-CZ 3.79Å; I680-F683 HydrophobicContact CG2-CD1 4.21Å; I680-F683 HydrophobicContact CG2-CD2 3.88Å; I680-F683 HydrophobicContact CG2-CE1 3.83Å; I680-F683 HydrophobicContact CG2-CE2 3.42Å; I680-F683 VanDerWaalsContact CG2-CE2 3.42Å; I680-F683 HydrophobicContact CG2-CG 4.24Å; I680-F683 HydrophobicContact CG2-CZ 3.4Å; F683-I685 HydrophobicContact CB-CD1 4.07Å; F683-I685 HydrophobicContact CB-CG1 4.23Å; F683-I685 WeakPolarHBondContact O-CD1 3.37Å; F683-I685 PolarHBondContact O-N 2.98Å; F683-V702 HydrophobicContact CB-CB 4.36Å; F683-V702 HydrophobicContact CB-CG1 3.76Å; F683-V702 HydrophobicContact CB-CG2 3.64Å; F683-V702 HydrophobicContact CD1-CG2 3.78Å; F683-V702 HydrophobicContact CD2-CG1 3.59Å; F683-V702 HydrophobicContact CD2-CG2 4.24Å; F683-V702 HydrophobicContact CE1-CG2 4.48Å; F683-V702 HydrophobicContact CE2-CG1 4.36Å; F683-V702 HydrophobicContact CG-CB 4.37Å; F683-V702 HydrophobicContact CG-CG1 3.76Å; F683-V702 HydrophobicContact CG-CG2 3.63Å; F683-V708 PolarHBondContact N-O 3.4Å; F683-E710 WeakPolarHBondContact O-CB 3.22Å; F683-E710 PolarHBondContact O-N 3.16Å
684	R	98.3	Very high	96	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	97.7	169.5	-174.4	178.5	-76.6	160.4	-12.5	108.7	E614 Q649 M650 L651 L652 E710 S712 H778 H780 D804	E614-R684 IonicContact OE1-NH1 3.69Å; E614-R684 PolarHBondContact OE1-NH1 3.02Å; Q649-R684 VanDerWaalsContact NE2-NH2 3.13Å; M650-R684 PolarHBondContact O-N 3.15Å; L651-R684 HydrophobicContact CD1-CB 4.27Å; L651-R684 HydrophobicContact CD1-CG 4.04Å; L652-R684 PolarHBondContact N-O 3.19Å; R684-E710 HydrophobicContact CG-CG 4.49Å; R684-E710 IonicContact CZ-OE1 2.94Å; R684-E710 IonicContact NE-OE1 2.67Å; R684-E710 PolarHBondContact NE-OE1 2.72Å; R684-E710 IonicContact NH2-OE1 2.86Å; R684-E710 PolarHBondContact NH2-OE1 3.31Å; R684-S712 WeakPolarHBondContact CG-OG 3.47Å; R684-H778 PolarHBondContact NH2-CE1 3.4Å; R684-H778 PolarHBondContact NH2-ND1 2.98Å; R684-H778 PolarHBondContact NH2-NE2 3.01Å; R684-H778 VanDerWaalsContact NH2-NE2 3.12Å; R684-H780 PolarHBondContact NH1-ND1 3.49Å; R684-D804 IonicContact CZ-OD1 2.7Å; R684-D804 IonicContact CZ-OD2 2.7Å; R684-D804 IonicContact NH1-OD1 3.65Å; R684-D804 IonicContact NH1-OD2 2.92Å; R684-D804 PolarHBondContact NH1-OD2 3.05Å; R684-D804 VanDerWaalsContact NH2-CG 3.34Å; R684-D804 IonicContact NH2-OD1 2.56Å; R684-D804 PolarHBondContact NH2-OD1 3.05Å; R684-D804 IonicContact NH2-OD2 3.61Å; R684-D804 PolarHBondContact NH2-OD2 3.46Å
685	I	97.6	Very high	95.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.1	-176.5	-53.1	106.2	0	0	0	109.5	L652 F683 L695 M699 V702 V709 E710 S712	L652-I685 HydrophobicContact CD2-CG1 4.1Å; L652-I685 WeakPolarHBondContact O-CA 3.46Å; F683-I685 HydrophobicContact CB-CD1 4.07Å; F683-I685 HydrophobicContact CB-CG1 4.23Å; F683-I685 WeakPolarHBondContact O-CD1 3.37Å; F683-I685 PolarHBondContact O-N 2.98Å; I685-L695 HydrophobicContact CG2-CD2 4.39Å; I685-M699 HydrophobicContact CB-CG 4.46Å; I685-M699 HydrophobicContact CD1-CG 4.28Å; I685-M699 HydrophobicContact CG2-CG 4.47Å; I685-V702 HydrophobicContact CD1-CB 4.32Å; I685-V702 HydrophobicContact CD1-CG1 4.46Å; I685-V702 HydrophobicContact CD1-CG2 4.09Å; I685-V702 HydrophobicContact CG1-CG2 4.04Å; I685-V709 HydrophobicContact CD1-CB 4.4Å; I685-V709 HydrophobicContact CD1-CG1 3.79Å; I685-E710 PolarHBondContact N-O 2.98Å; I685-S712 VanDerWaalsContact O-CB 3.32Å; I685-S712 WeakPolarHBondContact O-CB 3.3Å; I685-S712 PolarHBondContact O-N 3.49Å
686	F	95.5	Very high	95.6	Very high	11 Å²	11	21.4 Å²	21.4	5%	0.048	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	163.6	175.8	81.4	-70.2	0	0	0	111.3	L651 L652 R653 G654 L695 V916	L651-F686 HydrophobicContact CD1-CD1 3.49Å; L651-F686 VanDerWaalsContact CD1-CD1 3.49Å; L651-F686 HydrophobicContact CD1-CE1 3.73Å; L651-F686 HydrophobicContact CD1-CG 4.33Å; L651-F686 HydrophobicContact CD2-CE1 3.93Å; L651-F686 HydrophobicContact CD2-CZ 4.37Å; L651-F686 HydrophobicContact CG-CD1 3.91Å; L651-F686 HydrophobicContact CG-CE1 3.6Å; L652-F686 VanDerWaalsContact O-CD1 3.26Å; L652-F686 WeakPolarHBondContact O-CD1 3.3Å; L652-F686 PolarHBondContact O-N 3.48Å; R653-F686 WeakPolarHBondContact CA-O 3.3Å; R653-F686 HydrophobicContact CB-CE1 3.9Å; R653-F686 HydrophobicContact CB-CZ 4.08Å; R653-F686 HydrophobicContact CG-CE1 4.39Å; R653-F686 HydrophobicContact CG-CZ 4.21Å; G654-F686 PolarHBondContact N-O 2.97Å; F686-L695 VanDerWaalsContact CA-CD2 3.47Å; F686-V916 HydrophobicContact CD2-CG1 4.01Å; F686-V916 HydrophobicContact CD2-CG2 4.38Å; F686-V916 HydrophobicContact CE2-CB 4.44Å; F686-V916 HydrophobicContact CE2-CG1 3.75Å; F686-V916 HydrophobicContact CE2-CG2 3.8Å
687	D	93.6	Very high	95.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.			trans	-125.7	142	167.8	176.7	87.7	0	0	0	109.1	L689 N690 Y691 N694 L695	D687-L689 PolarHBondContact O-N 2.91Å; D687-L689 WeakPolarHBondContact OD2-CA 2.85Å; D687-L689 PolarHBondContact OD2-N 3.16Å; D687-N690 PolarHBondContact O-N 2.98Å; D687-N690 VanDerWaalsContact O-N 3.12Å; D687-N690 PolarHBondContact OD2-N 3.27Å; D687-Y691 VanDerWaalsContact OD2-CB 3.29Å; D687-Y691 WeakPolarHBondContact OD2-CB 3.36Å; D687-Y691 PolarHBondContact OD2-N 3.14Å; D687-N694 HydrophobicContact CB-CB 4.28Å; D687-N694 WeakPolarHBondContact OD1-CB 3.37Å; D687-N694 PolarHBondContact OD1-ND2 3.44Å; D687-L695 HydrophobicContact CB-CD1 4.31Å; D687-L695 HydrophobicContact CB-CD2 4.03Å; D687-L695 HydrophobicContact CB-CG 3.71Å
688	S	91.2	Very high	95.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.1	-173.2	53.2	0	0	0	0	115.5	I914 V916 S919	S688-I914 WeakPolarHBondContact O-CG2 3.1Å; S688-V916 VanDerWaalsContact CA-CG1 3.46Å; S688-S919 PolarHBondContact O-OG 3.11Å; S688-S919 VanDerWaalsContact O-OG 3.06Å
689	L	93.7	Very high	95.3	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	9.7	179.7	-60.1	176.2	0	0	0	111.8	D687 Y691 I913 F956 I961 P964	D687-L689 PolarHBondContact O-N 2.91Å; D687-L689 WeakPolarHBondContact OD2-CA 2.85Å; D687-L689 PolarHBondContact OD2-N 3.16Å; L689-Y691 PolarHBondContact O-N 3.42Å; L689-I913 HydrophobicContact CD2-CB 4.34Å; L689-I913 HydrophobicContact CD2-CD1 4.37Å; L689-F956 HydrophobicContact CD1-CE2 4.15Å; L689-F956 HydrophobicContact CD2-CE2 4.23Å; L689-I961 HydrophobicContact CD1-CD1 4.13Å; L689-I961 HydrophobicContact CD1-CG1 3.99Å; L689-P964 HydrophobicContact CD2-CB 4.47Å
690	N	95.3	Very high	95.3	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.043	9%	0.086	C	C	.	.			trans	49.7	33.4	-163.2	-73.4	-14.8	0	0	0	112.6	D687 L692 I713 C714 Y731 L735 I914	D687-N690 PolarHBondContact O-N 2.98Å; D687-N690 VanDerWaalsContact O-N 3.12Å; D687-N690 PolarHBondContact OD2-N 3.27Å; N690-L692 PolarHBondContact O-N 3.31Å; N690-I713 WeakPolarHBondContact ND2-CG2 3.26Å; N690-C714 PolarHBondContact ND2-N 2.87Å; N690-C714 PolarHBondContact ND2-O 2.91Å; N690-C714 WeakPolarHBondContact OD1-CB 3.13Å; N690-C714 PolarHBondContact OD1-N 3.04Å; N690-Y731 VanDerWaalsContact CB-OH 3.29Å; N690-Y731 WeakPolarHBondContact CB-OH 3.22Å; N690-Y731 PolarHBondContact ND2-OH 3.03Å; N690-L735 HydrophobicContact CB-CD1 3.86Å; N690-I914 HydrophobicContact CB-CD1 3.59Å; N690-I914 WeakPolarHBondContact ND2-CD1 3.24Å
691	Y	94.1	Very high	95.2	Very high	42 Å²	42	16.4 Å²	16.4	17%	0.165	9%	0.086	C	C	.	.			trans	-72.2	102.8	179.8	-177.6	-123.7	0	0	0	110.3	D687 L689 P693 N694 L695 F963	D687-Y691 VanDerWaalsContact OD2-CB 3.29Å; D687-Y691 WeakPolarHBondContact OD2-CB 3.36Å; D687-Y691 PolarHBondContact OD2-N 3.14Å; L689-Y691 PolarHBondContact O-N 3.42Å; Y691-P693 VanDerWaalsContact C-CD 3.5Å; Y691-P693 HydrophobicContact CD1-CB 4.44Å; Y691-P693 HydrophobicContact CD2-CG 4.42Å; Y691-P693 HydrophobicContact CE1-CB 3.84Å; Y691-P693 HydrophobicContact CE1-CG 3.91Å; Y691-P693 HydrophobicContact CE2-CG 3.79Å; Y691-P693 VanDerWaalsContact CZ-CG 3.49Å; Y691-N694 HydrophobicContact CD1-CB 4.17Å; Y691-N694 WeakPolarHBondContact O-CB 3.03Å; Y691-N694 PolarHBondContact O-N 3.06Å; Y691-L695 PolarHBondContact O-N 2.9Å; Y691-F963 HydrophobicContact CD2-CB 4.03Å; Y691-F963 HydrophobicContact CD2-CD2 4.34Å; Y691-F963 AromaticContact CE1-CD2 3.99Å; Y691-F963 HydrophobicContact CE1-CD2 3.99Å; Y691-F963 HydrophobicContact CE2-CB 3.94Å; Y691-F963 AromaticContact CE2-CD2 3.65Å; Y691-F963 HydrophobicContact CE2-CD2 3.65Å; Y691-F963 HydrophobicContact CE2-CG 4.22Å; Y691-F963 AromaticContact CZ-CD2 3.45Å; Y691-F963 VanDerWaalsContact CZ-CD2 3.45Å; Y691-F963 WeakPolarHBondContact OH-CD2 3.21Å
692	L	93.5	Very high	95.2	Very high	39 Å²	39	15.9 Å²	15.9	20%	0.204	8%	0.083	C	C	.	.	H	α-helix	trans	-52.1	-41.4	-170	-175.3	68.1	0	0	0	114.9	N690 N694 L695 I696 Q738 L739	N690-L692 PolarHBondContact O-N 3.31Å; L692-N694 VanDerWaalsContact C-N 3.3Å; L692-N694 PolarHBondContact O-N 3.44Å; L692-L695 WeakPolarHBondContact O-CB 3.25Å; L692-L695 PolarHBondContact O-N 3.03Å; L692-L695 VanDerWaalsContact O-N 3.14Å; L692-I696 HydrophobicContact CD1-CD1 3.94Å; L692-I696 HydrophobicContact CD1-CG1 3.94Å; L692-I696 HydrophobicContact CD2-CD1 4.11Å; L692-I696 HydrophobicContact CG-CD1 3.67Å; L692-I696 HydrophobicContact CG-CG1 4.08Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 3.17Å; L692-Q738 HydrophobicContact CD1-CB 3.74Å; L692-Q738 HydrophobicContact CD2-CB 3.7Å; L692-Q738 HydrophobicContact CD2-CG 3.7Å; L692-Q738 HydrophobicContact CG-CB 4.38Å; L692-L739 HydrophobicContact CD1-CD2 4.19Å
693	P	93.2	Very high	95	Very high	54 Å²	54	17.7 Å²	17.7	35%	0.351	10%	0.102	S	C	.	.	H	α-helix	trans	-60.9	-34	177.9	-28.2	39.1	0	0	0	114.5	Y691 M697	Y691-P693 VanDerWaalsContact C-CD 3.5Å; Y691-P693 HydrophobicContact CD1-CB 4.44Å; Y691-P693 HydrophobicContact CD2-CG 4.42Å; Y691-P693 HydrophobicContact CE1-CB 3.84Å; Y691-P693 HydrophobicContact CE1-CG 3.91Å; Y691-P693 HydrophobicContact CE2-CG 3.79Å; Y691-P693 VanDerWaalsContact CZ-CG 3.49Å; P693-M697 WeakPolarHBondContact O-CB 3.44Å; P693-M697 PolarHBondContact O-N 3.34Å
694	N	92.5	Very high	94.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-72.1	-39.2	174.7	-77.3	-5.2	0	0	0	111.5	G654 A655 D687 Y691 L692 G698 R986	G654-N694 WeakPolarHBondContact CA-O 3.45Å; A655-N694 HydrophobicContact CB-CB 3.85Å; A655-N694 VanDerWaalsContact CB-OD1 3.32Å; A655-N694 WeakPolarHBondContact CB-OD1 3.3Å; D687-N694 HydrophobicContact CB-CB 4.28Å; D687-N694 WeakPolarHBondContact OD1-CB 3.37Å; D687-N694 PolarHBondContact OD1-ND2 3.44Å; Y691-N694 HydrophobicContact CD1-CB 4.17Å; Y691-N694 WeakPolarHBondContact O-CB 3.03Å; Y691-N694 PolarHBondContact O-N 3.06Å; L692-N694 VanDerWaalsContact C-N 3.3Å; L692-N694 PolarHBondContact O-N 3.44Å; N694-G698 PolarHBondContact O-N 2.75Å; N694-G698 VanDerWaalsContact O-N 3.12Å; N694-R986 WeakPolarHBondContact OD1-CD 3.47Å; N694-R986 VanDerWaalsContact OD1-CG 3.22Å; N694-R986 WeakPolarHBondContact OD1-CG 3.35Å
695	L	92.9	Very high	94.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-53.8	176.1	-77.1	166.9	0	0	0	111	I685 F686 D687 Y691 L692 M697 G698 M699 L739	I685-L695 HydrophobicContact CG2-CD2 4.39Å; F686-L695 VanDerWaalsContact CA-CD2 3.47Å; D687-L695 HydrophobicContact CB-CD1 4.31Å; D687-L695 HydrophobicContact CB-CD2 4.03Å; D687-L695 HydrophobicContact CB-CG 3.71Å; Y691-L695 PolarHBondContact O-N 2.9Å; L692-L695 WeakPolarHBondContact O-CB 3.25Å; L692-L695 PolarHBondContact O-N 3.03Å; L692-L695 VanDerWaalsContact O-N 3.14Å; L695-M697 VanDerWaalsContact C-N 3.32Å; L695-M697 PolarHBondContact O-N 3.05Å; L695-G698 PolarHBondContact O-N 3.01Å; L695-G698 VanDerWaalsContact O-N 3.14Å; L695-M699 VanDerWaalsContact O-CG 3.31Å; L695-M699 WeakPolarHBondContact O-CG 3.35Å; L695-M699 PolarHBondContact O-N 2.65Å; L695-L739 HydrophobicContact CB-CD2 4.36Å; L695-L739 HydrophobicContact CD1-CD2 4.39Å
696	I	94.8	Very high	94.8	Very high	68 Å²	68	25.6 Å²	25.6	35%	0.349	16%	0.162	S	C	.	.	H	α-helix	trans	-58.8	-43.9	-178.6	-68	175.5	0	0	0	110.7	L692 G698 M699 D700 A742	L692-I696 HydrophobicContact CD1-CD1 3.94Å; L692-I696 HydrophobicContact CD1-CG1 3.94Å; L692-I696 HydrophobicContact CD2-CD1 4.11Å; L692-I696 HydrophobicContact CG-CD1 3.67Å; L692-I696 HydrophobicContact CG-CG1 4.08Å; L692-I696 WeakPolarHBondContact O-CG1 3.48Å; L692-I696 PolarHBondContact O-N 3.17Å; I696-G698 PolarHBondContact O-N 3.2Å; I696-M699 PolarHBondContact O-N 3.03Å; I696-D700 WeakPolarHBondContact O-CB 3.35Å; I696-D700 PolarHBondContact O-N 3.17Å; I696-A742 HydrophobicContact CG1-CB 4.15Å
697	M	93.1	Very high	94.8	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.069	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-43	177.9	-172.3	-75.3	-65	0	0	111.9	G654 A655 I668 P693 L695 D700 A701	G654-M697 VanDerWaalsContact O-CE 3.22Å; G654-M697 WeakPolarHBondContact O-CE 3.21Å; A655-M697 VanDerWaalsContact CA-CE 3.4Å; A655-M697 HydrophobicContact CB-CE 3.98Å; I668-M697 HydrophobicContact CB-CE 4.29Å; I668-M697 HydrophobicContact CB-SD 4.22Å; I668-M697 HydrophobicContact CG1-CE 4.06Å; I668-M697 HydrophobicContact CG2-CE 4.04Å; I668-M697 HydrophobicContact CG2-SD 3.97Å; P693-M697 WeakPolarHBondContact O-CB 3.44Å; P693-M697 PolarHBondContact O-N 3.34Å; L695-M697 VanDerWaalsContact C-N 3.32Å; L695-M697 PolarHBondContact O-N 3.05Å; M697-D700 PolarHBondContact O-N 2.98Å; M697-A701 WeakPolarHBondContact O-CB 3.18Å; M697-A701 PolarHBondContact O-N 3.19Å
698	G	95	Very high	95	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-39.8	175.3	0	0	0	0	0	113.1	N694 L695 I696 A701 V702	N694-G698 PolarHBondContact O-N 2.75Å; N694-G698 VanDerWaalsContact O-N 3.12Å; L695-G698 PolarHBondContact O-N 3.01Å; L695-G698 VanDerWaalsContact O-N 3.14Å; I696-G698 PolarHBondContact O-N 3.2Å; G698-A701 PolarHBondContact O-N 2.84Å; G698-V702 WeakPolarHBondContact O-CG2 3.22Å; G698-V702 PolarHBondContact O-N 2.62Å
699	M	97	Very high	95.4	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-44.1	175.7	-69.3	171.6	64	0	0	111.7	I685 L695 I696 V702 G703 V709 L739 A742	I685-M699 HydrophobicContact CB-CG 4.46Å; I685-M699 HydrophobicContact CD1-CG 4.28Å; I685-M699 HydrophobicContact CG2-CG 4.47Å; L695-M699 VanDerWaalsContact O-CG 3.31Å; L695-M699 WeakPolarHBondContact O-CG 3.35Å; L695-M699 PolarHBondContact O-N 2.65Å; I696-M699 PolarHBondContact O-N 3.03Å; M699-V702 PolarHBondContact O-N 2.91Å; M699-G703 PolarHBondContact O-N 2.75Å; M699-V709 HydrophobicContact CB-CG1 3.69Å; M699-V709 HydrophobicContact CE-CG1 3.84Å; M699-V709 HydrophobicContact CG-CG1 3.63Å; M699-L739 HydrophobicContact SD-CD2 3.6Å; M699-L739 VanDerWaalsContact SD-CD2 3.6Å; M699-A742 HydrophobicContact CE-CB 3.73Å; M699-A742 HydrophobicContact SD-CB 4.27Å
700	D	96.3	Very high	95.6	Very high	85 Å²	85	25.3 Å²	25.3	46%	0.455	16%	0.162	S	C	.	.	H	α-helix	trans	-63.8	-44.2	178.1	-171.6	37.5	0	0	0	111.7	Y669 I696 M697 V702 G703 T704	Y669-D700 PolarHBondContact OH-OD2 3.16Å; I696-D700 WeakPolarHBondContact O-CB 3.35Å; I696-D700 PolarHBondContact O-N 3.17Å; M697-D700 PolarHBondContact O-N 2.98Å; D700-V702 PolarHBondContact O-N 2.8Å; D700-G703 PolarHBondContact O-N 3.12Å; D700-T704 VanDerWaalsContact O-CB 3.24Å; D700-T704 WeakPolarHBondContact O-CB 3.34Å; D700-T704 PolarHBondContact O-N 3.14Å; D700-T704 PolarHBondContact O-OG1 3.26Å
701	A	96.4	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-42.2	175.7	0	0	0	0	0	112.7	I668 Y669 M697 G698 A705	I668-A701 HydrophobicContact CG2-CB 4.09Å; Y669-A701 HydrophobicContact CD1-CB 4.12Å; Y669-A701 HydrophobicContact CD2-CB 4.25Å; Y669-A701 HydrophobicContact CE1-CB 4.26Å; Y669-A701 HydrophobicContact CE2-CB 4.37Å; Y669-A701 HydrophobicContact CG-CB 4.14Å; M697-A701 WeakPolarHBondContact O-CB 3.18Å; M697-A701 PolarHBondContact O-N 3.19Å; G698-A701 PolarHBondContact O-N 2.84Å; A701-A705 WeakPolarHBondContact O-CB 3.32Å; A701-A705 PolarHBondContact O-N 3.12Å; A701-A705 VanDerWaalsContact O-N 3.12Å
702	V	97.1	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.6	-46.2	176.3	169.6	0	0	0	0	111.5	L652 C672 F683 I685 G698 M699 D700 T704 A705 G706 G707 V709	L652-V702 HydrophobicContact CD2-CG2 3.7Å; C672-V702 HydrophobicContact CB-CG2 4.48Å; F683-V702 HydrophobicContact CB-CB 4.36Å; F683-V702 HydrophobicContact CB-CG1 3.76Å; F683-V702 HydrophobicContact CB-CG2 3.64Å; F683-V702 HydrophobicContact CD1-CG2 3.78Å; F683-V702 HydrophobicContact CD2-CG1 3.59Å; F683-V702 HydrophobicContact CD2-CG2 4.24Å; F683-V702 HydrophobicContact CE1-CG2 4.48Å; F683-V702 HydrophobicContact CE2-CG1 4.36Å; F683-V702 HydrophobicContact CG-CB 4.37Å; F683-V702 HydrophobicContact CG-CG1 3.76Å; F683-V702 HydrophobicContact CG-CG2 3.63Å; I685-V702 HydrophobicContact CD1-CB 4.32Å; I685-V702 HydrophobicContact CD1-CG1 4.46Å; I685-V702 HydrophobicContact CD1-CG2 4.09Å; I685-V702 HydrophobicContact CG1-CG2 4.04Å; G698-V702 WeakPolarHBondContact O-CG2 3.22Å; G698-V702 PolarHBondContact O-N 2.62Å; M699-V702 PolarHBondContact O-N 2.91Å; D700-V702 PolarHBondContact O-N 2.8Å; V702-T704 VanDerWaalsContact C-N 3.31Å; V702-T704 PolarHBondContact O-N 3.38Å; V702-A705 WeakPolarHBondContact O-CB 3.43Å; V702-A705 PolarHBondContact O-N 3.14Å; V702-A705 VanDerWaalsContact O-N 3.13Å; V702-G706 PolarHBondContact O-N 3.19Å; V702-G706 VanDerWaalsContact O-N 3.15Å; V702-G707 PolarHBondContact O-N 3.16Å; V702-G707 VanDerWaalsContact O-N 3.09Å; V702-V709 HydrophobicContact CB-CG2 4.14Å; V702-V709 HydrophobicContact CG1-CG2 3.76Å
703	G	96.2	Very high	96.1	Very high	38 Å²	38	21.1 Å²	21.1	39%	0.392	14%	0.143	S	C	.	.	H	α-helix	trans	-60.2	-43.1	178.9	0	0	0	0	0	111.5	M699 D700 A705 G706	M699-G703 PolarHBondContact O-N 2.75Å; D700-G703 PolarHBondContact O-N 3.12Å; G703-A705 VanDerWaalsContact C-N 3.31Å; G703-A705 PolarHBondContact O-N 2.89Å; G703-G706 PolarHBondContact O-N 3.49Å
704	T	96.4	Very high	96.3	Very high	95 Å²	95	18.5 Å²	18.5	58%	0.583	13%	0.126	S	C	*	.	H	α-helix	trans	-62.1	-36.7	174.6	-61.5	0	0	0	0	112.2	Y669 D700 V702 G706	Y669-T704 HydrophobicContact CD1-CG2 4.32Å; Y669-T704 HydrophobicContact CE1-CG2 4.26Å; D700-T704 VanDerWaalsContact O-CB 3.24Å; D700-T704 WeakPolarHBondContact O-CB 3.34Å; D700-T704 PolarHBondContact O-N 3.14Å; D700-T704 PolarHBondContact O-OG1 3.26Å; V702-T704 VanDerWaalsContact C-N 3.31Å; V702-T704 PolarHBondContact O-N 3.38Å; T704-G706 PolarHBondContact O-N 2.88Å
705	A	96.5	Very high	96.5	Very high	24 Å²	24	18.6 Å²	18.6	20%	0.198	13%	0.126	C	C	.	.	H	α-helix	trans	-73.5	-11.6	175.6	0	0	0	0	0	113.8	C672 V676 A701 V702 G703	C672-A705 HydrophobicContact CB-CB 3.89Å; V676-A705 HydrophobicContact CG2-CB 3.87Å; A701-A705 WeakPolarHBondContact O-CB 3.32Å; A701-A705 PolarHBondContact O-N 3.12Å; A701-A705 VanDerWaalsContact O-N 3.12Å; V702-A705 WeakPolarHBondContact O-CB 3.43Å; V702-A705 PolarHBondContact O-N 3.14Å; V702-A705 VanDerWaalsContact O-N 3.13Å; G703-A705 VanDerWaalsContact C-N 3.31Å; G703-A705 PolarHBondContact O-N 2.89Å
706	G	95.6	Very high	96.6	Very high	48 Å²	48	18.5 Å²	18.5	50%	0.495	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	12.8	-178.4	0	0	0	0	0	115	V702 G703 T704	V702-G706 PolarHBondContact O-N 3.19Å; V702-G706 VanDerWaalsContact O-N 3.15Å; G703-G706 PolarHBondContact O-N 3.49Å; T704-G706 PolarHBondContact O-N 2.88Å
707	G	96.8	Very high	96.5	Very high	3 Å²	3	15.8 Å²	15.8	3%	0.031	12%	0.115	C	C	.	.			trans	-80.2	162.3	176.3	0	0	0	0	0	113.2	V702 V709	V702-G707 PolarHBondContact O-N 3.16Å; V702-G707 VanDerWaalsContact O-N 3.09Å; G707-V709 PolarHBondContact O-N 2.78Å
708	V	98.4	Very high	96.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	114.1	170.3	-177.4	0	0	0	0	109.1	L554 P559 F562 D681 I682 F683 E710 H745 I746	L554-V708 HydrophobicContact CD1-CG2 3.43Å; L554-V708 VanDerWaalsContact CD1-CG2 3.43Å; L554-V708 HydrophobicContact CD2-CG2 3.75Å; L554-V708 HydrophobicContact CG-CG2 4.25Å; P559-V708 HydrophobicContact CB-CG2 4.06Å; P559-V708 HydrophobicContact CG-CG2 4.24Å; F562-V708 HydrophobicContact CD1-CG1 4.36Å; F562-V708 HydrophobicContact CD1-CG2 4Å; F562-V708 HydrophobicContact CE1-CG2 4.32Å; D681-V708 PolarHBondContact O-N 2.87Å; I682-V708 HydrophobicContact CB-CB 4.38Å; I682-V708 HydrophobicContact CG1-CB 4.03Å; I682-V708 HydrophobicContact CG1-CG1 4.46Å; I682-V708 HydrophobicContact CG1-CG2 4.28Å; I682-V708 HydrophobicContact CG2-CB 4.39Å; I682-V708 HydrophobicContact CG2-CG1 4.42Å; F683-V708 PolarHBondContact N-O 3.4Å; V708-E710 PolarHBondContact O-N 3.03Å; V708-H745 HydrophobicContact CG1-CB 4.07Å; V708-I746 HydrophobicContact CG1-CD1 3.92Å; V708-I746 HydrophobicContact CG1-CG1 4.33Å
709	V	98.3	Very high	96.4	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.024	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	107.6	176.2	-177.4	0	0	0	0	110.3	I685 M699 V702 G707 T744 H745 I746	I685-V709 HydrophobicContact CD1-CB 4.4Å; I685-V709 HydrophobicContact CD1-CG1 3.79Å; M699-V709 HydrophobicContact CB-CG1 3.69Å; M699-V709 HydrophobicContact CE-CG1 3.84Å; M699-V709 HydrophobicContact CG-CG1 3.63Å; V702-V709 HydrophobicContact CB-CG2 4.14Å; V702-V709 HydrophobicContact CG1-CG2 3.76Å; G707-V709 PolarHBondContact O-N 2.78Å; V709-T744 PolarHBondContact O-OG1 3.28Å; V709-H745 VanDerWaalsContact CB-ND1 3.34Å; V709-H745 WeakPolarHBondContact CB-ND1 3.26Å; V709-H745 PolarHBondContact N-ND1 3.44Å; V709-H745 WeakPolarHBondContact O-CB 3.18Å; V709-H745 PolarHBondContact O-N 3.21Å; V709-I746 PolarHBondContact O-N 3.4Å
710	E	98.4	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	86.1	166.1	-177.9	-177.6	138.7	0	0	110	I682 F683 R684 I685 V708 S712 I746 H778	I682-E710 HydrophobicContact CG2-CB 4.34Å; F683-E710 WeakPolarHBondContact O-CB 3.22Å; F683-E710 PolarHBondContact O-N 3.16Å; R684-E710 HydrophobicContact CG-CG 4.49Å; R684-E710 IonicContact CZ-OE1 2.94Å; R684-E710 IonicContact NE-OE1 2.67Å; R684-E710 PolarHBondContact NE-OE1 2.72Å; R684-E710 IonicContact NH2-OE1 2.86Å; R684-E710 PolarHBondContact NH2-OE1 3.31Å; I685-E710 PolarHBondContact N-O 2.98Å; V708-E710 PolarHBondContact O-N 3.03Å; E710-S712 PolarHBondContact O-N 2.96Å; E710-S712 PolarHBondContact O-OG 3.24Å; E710-I746 WeakPolarHBondContact CA-O 3.13Å; E710-I746 HydrophobicContact CB-CB 4.18Å; E710-I746 HydrophobicContact CG-CB 4.06Å; E710-I746 HydrophobicContact CG-CG2 3.96Å; E710-H778 VanDerWaalsContact CD-ND1 3.31Å; E710-H778 IonicContact OE1-CG 3.75Å; E710-H778 IonicContact OE1-ND1 2.99Å; E710-H778 PolarHBondContact OE1-ND1 3.27Å; E710-H778 IonicContact OE2-CE1 3.91Å; E710-H778 IonicContact OE2-CG 3.97Å; E710-H778 IonicContact OE2-ND1 3.57Å; E710-H778 PolarHBondContact OE2-ND1 2.83Å
711	G	97.8	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	119.5	173.1	0	0	0	0	0	110.5	T744 I746 G748	G711-T744 WeakPolarHBondContact CA-OG1 3.47Å; G711-T744 PolarHBondContact N-OG1 3.29Å; G711-I746 PolarHBondContact N-O 3.49Å; G711-G748 PolarHBondContact O-N 3.29Å
712	S	97.8	Very high	95.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.9	-168.6	-59.3	0	0	0	0	113.6	R684 I685 E710 G748	R684-S712 WeakPolarHBondContact CG-OG 3.47Å; I685-S712 VanDerWaalsContact O-CB 3.32Å; I685-S712 WeakPolarHBondContact O-CB 3.3Å; I685-S712 PolarHBondContact O-N 3.49Å; E710-S712 PolarHBondContact O-N 2.96Å; E710-S712 PolarHBondContact O-OG 3.24Å; S712-G748 CarbonylContact C-O 3.56Å; S712-G748 VanDerWaalsContact CA-O 3.25Å; S712-G748 WeakPolarHBondContact CA-O 3.48Å
713	I	97.9	Very high	94.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.8	174.4	-53.9	172.9	0	0	0	108.7	N690 Y732 L735 T736 L739 L747 G748 I749 K750	N690-I713 WeakPolarHBondContact ND2-CG2 3.26Å; I713-Y732 HydrophobicContact CG2-CD1 3.73Å; I713-Y732 HydrophobicContact CG2-CE1 4.09Å; I713-L735 HydrophobicContact CD1-CB 3.82Å; I713-L735 HydrophobicContact CG1-CB 4.2Å; I713-L735 HydrophobicContact CG2-CD1 3.86Å; I713-T736 WeakPolarHBondContact CD1-OG1 3.4Å; I713-L739 HydrophobicContact CD1-CD1 4.08Å; I713-L739 HydrophobicContact CG1-CD1 3.48Å; I713-L739 VanDerWaalsContact CG1-CD1 3.48Å; I713-L747 HydrophobicContact CD1-CD1 4.24Å; I713-G748 PolarHBondContact N-O 3.28Å; I713-I749 HydrophobicContact CB-CD1 4.28Å; I713-I749 HydrophobicContact CD1-CD1 4.39Å; I713-K750 PolarHBondContact O-N 3.39Å
714	C	97.2	Very high	94	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.6	172.3	-68.1	0	0	0	0	110.6	N690 K750 M752 I914	N690-C714 PolarHBondContact ND2-N 2.87Å; N690-C714 PolarHBondContact ND2-O 2.91Å; N690-C714 WeakPolarHBondContact OD1-CB 3.13Å; N690-C714 PolarHBondContact OD1-N 3.04Å; C714-K750 WeakPolarHBondContact CA-O 3.21Å; C714-M752 HydrophobicContact CB-SD 4.01Å; C714-I914 HydrophobicContact CB-CG2 3.57Å
715	Y	97.2	Very high	93.4	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-89.5	134.2	180	-178.8	-93.5	0	0	0	111.5	G717 D718 L719 Y732 K750 M752 L755 L756 L764	Y715-G717 WeakPolarHBondContact CE1-O 3.19Å; Y715-G717 PolarHBondContact OH-O 3.09Å; Y715-D718 WeakPolarHBondContact OH-CA 3.15Å; Y715-L719 HydrophobicContact CE2-CD1 3.92Å; Y715-L719 HydrophobicContact CE2-CG 4Å; Y715-L719 PolarHBondContact OH-N 3.12Å; Y715-Y732 AromaticContact CD2-CE1 3.96Å; Y715-Y732 HydrophobicContact CD2-CE1 3.96Å; Y715-Y732 HydrophobicContact CD2-CE2 4.05Å; Y715-Y732 AromaticContact CD2-CZ 3.56Å; Y715-Y732 WeakPolarHBondContact CD2-OH 3.18Å; Y715-Y732 AromaticContact CE2-CE2 3.98Å; Y715-Y732 HydrophobicContact CE2-CE2 3.98Å; Y715-Y732 AromaticContact CE2-CZ 3.92Å; Y715-K750 PolarHBondContact N-O 3.25Å; Y715-M752 WeakPolarHBondContact O-CE 3.19Å; Y715-L755 HydrophobicContact CD1-CB 3.99Å; Y715-L755 HydrophobicContact CE1-CB 3.78Å; Y715-L756 HydrophobicContact CD1-CB 4.11Å; Y715-L756 HydrophobicContact CD1-CD1 4.18Å; Y715-L756 HydrophobicContact CD2-CD1 3.84Å; Y715-L756 HydrophobicContact CE1-CB 4.07Å; Y715-L756 HydrophobicContact CE1-CD1 3.85Å; Y715-L756 HydrophobicContact CE2-CD1 3.46Å; Y715-L756 VanDerWaalsContact CE2-CD1 3.46Å; Y715-L756 HydrophobicContact CG-CD1 4.19Å; Y715-L756 VanDerWaalsContact CZ-CD1 3.47Å; Y715-L764 HydrophobicContact CD2-CD2 4.14Å; Y715-L764 HydrophobicContact CE2-CD2 4.45Å
716	S	94.7	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.			trans	-146.5	157.6	176.2	-165.9	0	0	0	0	110.9	Y727 Y732 Q874	S716-Y727 WeakPolarHBondContact O-CB 3.48Å; S716-Y732 PolarHBondContact N-OH 2.9Å; S716-Y732 PolarHBondContact O-OH 3.41Å; S716-Q874 PolarHBondContact OG-OE1 2.84Å
717	G	91.5	Very high	93.2	Very high	11 Å²	11	35.1 Å²	35.1	11%	0.113	19%	0.191	C	C	.	.	S	Bend	trans	75.1	-155.1	-176.4	0	0	0	0	0	113.5	Y715	Y715-G717 WeakPolarHBondContact CE1-O 3.19Å; Y715-G717 PolarHBondContact OH-O 3.09Å
718	D	93.3	Very high	93.1	Very high	23 Å²	23	37.8 Å²	37.8	12%	0.123	21%	0.205	C	C	.	.			trans	-146.3	102.4	-175.3	-175.7	1.8	0	0	0	111.7	Y715 A720 N721 L724 K757	Y715-D718 WeakPolarHBondContact OH-CA 3.15Å; D718-A720 PolarHBondContact O-N 2.77Å; D718-A720 WeakPolarHBondContact OD1-CB 3.46Å; D718-A720 PolarHBondContact OD1-N 3.36Å; D718-N721 HydrophobicContact CB-CB 4.05Å; D718-N721 PolarHBondContact O-N 2.96Å; D718-L724 HydrophobicContact CB-CD1 4.07Å; D718-K757 IonicContact OD2-NZ 3.08Å; D718-K757 PolarHBondContact OD2-NZ 3.32Å
719	L	92.7	Very high	92.9	Very high	26 Å²	26	40.7 Å²	40.7	14%	0.136	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.6	178	-72.4	177	0	0	0	114.2	Y715 N721 L729 Y732 A760 L764	Y715-L719 HydrophobicContact CE2-CD1 3.92Å; Y715-L719 HydrophobicContact CE2-CG 4Å; Y715-L719 PolarHBondContact OH-N 3.12Å; L719-N721 VanDerWaalsContact C-N 3.27Å; L719-L729 HydrophobicContact CD1-CD1 4.48Å; L719-L729 HydrophobicContact CD2-CB 4.22Å; L719-Y732 HydrophobicContact CD1-CD2 3.95Å; L719-Y732 HydrophobicContact CD1-CE2 4.12Å; L719-Y732 HydrophobicContact CD2-CD2 3.85Å; L719-Y732 HydrophobicContact CD2-CE2 3.87Å; L719-Y732 HydrophobicContact CG-CD2 4.21Å; L719-Y732 HydrophobicContact CG-CE2 4.03Å; L719-A760 HydrophobicContact CB-CB 4.15Å; L719-L764 HydrophobicContact CD1-CB 3.77Å; L719-L764 HydrophobicContact CD1-CD1 4.16Å; L719-L764 HydrophobicContact CD1-CD2 4.33Å; L719-L764 HydrophobicContact CD1-CG 4.31Å
720	A	89.5	Confident	92.7	Very high	40 Å²	40	45.7 Å²	45.7	33%	0.331	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.1	175.5	0	0	0	0	0	112.4	D718 P722	D718-A720 PolarHBondContact O-N 2.77Å; D718-A720 WeakPolarHBondContact OD1-CB 3.46Å; D718-A720 PolarHBondContact OD1-N 3.36Å; A720-P722 WeakPolarHBondContact O-CD 3.18Å
721	N	90.8	Very high	92.6	Very high	53 Å²	53	46 Å²	46	28%	0.283	24%	0.244	S	C	.	.			trans	-104.3	102.5	179.2	-175.3	-0.9	0	0	0	111.3	D718 L719 K723 L724	D718-N721 HydrophobicContact CB-CB 4.05Å; D718-N721 PolarHBondContact O-N 2.96Å; L719-N721 VanDerWaalsContact C-N 3.27Å; N721-K723 PolarHBondContact O-N 3.46Å; N721-K723 WeakPolarHBondContact OD1-CB 3.25Å; N721-K723 PolarHBondContact OD1-N 3.42Å; N721-K723 VanDerWaalsContact OD1-N 3.1Å; N721-L724 HydrophobicContact CB-CD1 4.38Å; N721-L724 HydrophobicContact CB-CG 4.45Å; N721-L724 PolarHBondContact O-N 3.16Å; N721-L724 VanDerWaalsContact O-N 3.1Å
722	P	83.5	Confident	92.6	Very high	124 Å²	124	46.1 Å²	46.1	81%	0.805	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-9.3	-177.3	28.6	-36.1	0	0	0	114	A720 L724	A720-P722 WeakPolarHBondContact O-CD 3.18Å; P722-L724 VanDerWaalsContact C-N 3.32Å
723	K	87	Confident	92.5	Very high	186 Å²	186	46.8 Å²	46.8	81%	0.809	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.8	175.4	-61.4	-178.2	178.9	179.1	0	113.3	N721	N721-K723 PolarHBondContact O-N 3.46Å; N721-K723 WeakPolarHBondContact OD1-CB 3.25Å; N721-K723 PolarHBondContact OD1-N 3.42Å; N721-K723 VanDerWaalsContact OD1-N 3.1Å
724	L	83.1	Confident	92.5	Very high	83 Å²	83	50 Å²	50	44%	0.435	27%	0.265	S	S	.	.			trans	-99.7	104.7	177.6	-61.5	179.3	0	0	0	108.5	D718 N721 P722	D718-L724 HydrophobicContact CB-CD1 4.07Å; N721-L724 HydrophobicContact CB-CD1 4.38Å; N721-L724 HydrophobicContact CB-CG 4.45Å; N721-L724 PolarHBondContact O-N 3.16Å; N721-L724 VanDerWaalsContact O-N 3.1Å; P722-L724 VanDerWaalsContact C-N 3.32Å
725	D	84	Confident	92.5	Very high	125 Å²	125	50.9 Å²	50.9	67%	0.668	27%	0.27	S	S	*	.			trans	-102.3	-17.1	-170.1	63.5	-12.1	0	0	0	114.1	N728	D725-N728 PolarHBondContact O-ND2 3.01Å
726	K	92.4	Very high	92.5	Very high	47 Å²	47	50.9 Å²	50.9	20%	0.204	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-53.3	-178.9	-171.5	179.5	-175.5	-170.5	0	113.2	N728 G911 D912 Y965	K726-N728 PolarHBondContact O-N 2.9Å; K726-G911 PolarHBondContact NZ-O 2.54Å; K726-D912 HydrophobicContact CD-CB 4.31Å; K726-D912 PolarHBondContact NZ-O 3.27Å; K726-Y965 WeakPolarHBondContact CE-O 3.37Å; K726-Y965 HydrophobicContact CG-CD1 4.2Å; K726-Y965 HydrophobicContact CG-CE1 4.38Å; K726-Y965 PolarHBondContact NZ-O 2.7Å; K726-Y965 WeakPolarHBondContact O-CE1 3.4Å
727	Y	94.7	Very high	92.6	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.039	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	59	179.3	-62.7	-63.8	0	0	0	110.3	S716 Y731 Y732 D912 I913 I914 Y965	S716-Y727 WeakPolarHBondContact O-CB 3.48Å; Y727-Y731 AromaticContact CD1-CD1 3.84Å; Y727-Y731 HydrophobicContact CD1-CD1 3.84Å; Y727-Y731 AromaticContact CD1-CE1 3.56Å; Y727-Y731 HydrophobicContact CD1-CE1 3.56Å; Y727-Y731 HydrophobicContact CD1-CE2 4.45Å; Y727-Y731 HydrophobicContact CD1-CG 4.39Å; Y727-Y731 AromaticContact CD1-CZ 3.88Å; Y727-Y731 HydrophobicContact CE1-CE1 4.08Å; Y727-Y731 HydrophobicContact CE1-CE2 4.49Å; Y727-Y731 AromaticContact CE1-CZ 3.95Å; Y727-Y732 WeakPolarHBondContact O-CE2 3.23Å; Y727-D912 WeakPolarHBondContact CE2-O 3.26Å; Y727-D912 PolarHBondContact OH-O 2.85Å; Y727-I913 WeakPolarHBondContact OH-CA 3.12Å; Y727-I914 HydrophobicContact CE1-CD1 4.16Å; Y727-I914 HydrophobicContact CE1-CG1 3.97Å; Y727-I914 PolarHBondContact OH-N 3.21Å; Y727-Y965 HydrophobicContact CE1-CD1 4.42Å
728	N	94.7	Very high	92.9	Very high	59 Å²	59	55.6 Å²	55.6	32%	0.316	29%	0.29	S	S	.	.			trans	-83.8	178.2	-178.8	66.1	33.8	0	0	0	112.2	D725 K726 Q730 Y731 Y732	D725-N728 PolarHBondContact O-ND2 3.01Å; K726-N728 PolarHBondContact O-N 2.9Å; N728-Q730 VanDerWaalsContact C-N 3.29Å; N728-Q730 PolarHBondContact O-N 2.77Å; N728-Q730 WeakPolarHBondContact OD1-CA 3.29Å; N728-Q730 WeakPolarHBondContact OD1-CB 3.21Å; N728-Q730 PolarHBondContact OD1-N 2.59Å; N728-Y731 WeakPolarHBondContact O-CB 3.45Å; N728-Y731 PolarHBondContact O-N 3.11Å; N728-Y731 PolarHBondContact OD1-N 3.49Å; N728-Y732 WeakPolarHBondContact O-CD2 3.28Å; N728-Y732 PolarHBondContact O-N 3.21Å
729	L	94.7	Very high	93.1	Very high	61 Å²	61	54.5 Å²	54.5	32%	0.319	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-39.2	-179.2	-177.8	60.4	0	0	0	112.1	L719 Y731 Y732 M733 I763 L764 A767	L719-L729 HydrophobicContact CD1-CD1 4.48Å; L719-L729 HydrophobicContact CD2-CB 4.22Å; L729-Y731 VanDerWaalsContact C-N 3.32Å; L729-Y731 PolarHBondContact O-N 2.83Å; L729-Y732 PolarHBondContact O-N 3.46Å; L729-M733 HydrophobicContact CD1-CG 4.05Å; L729-M733 HydrophobicContact CD1-SD 4.39Å; L729-M733 HydrophobicContact CG-CG 4.1Å; L729-M733 VanDerWaalsContact O-CG 3.3Å; L729-M733 WeakPolarHBondContact O-CG 3.5Å; L729-M733 PolarHBondContact O-N 3.3Å; L729-I763 HydrophobicContact CD1-CG2 4.3Å; L729-I763 HydrophobicContact CD2-CG2 4.12Å; L729-L764 HydrophobicContact CD1-CD1 4.17Å; L729-A767 HydrophobicContact CD1-CB 3.98Å; L729-A767 HydrophobicContact CD2-CB 4.2Å
730	Q	94.7	Very high	93.3	Very high	109 Å²	109	55 Å²	55	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-42.8	179.3	-170.6	64.2	49.9	0	0	111.5	N728 Y732 M733 D734	N728-Q730 VanDerWaalsContact C-N 3.29Å; N728-Q730 PolarHBondContact O-N 2.77Å; N728-Q730 WeakPolarHBondContact OD1-CA 3.29Å; N728-Q730 WeakPolarHBondContact OD1-CB 3.21Å; N728-Q730 PolarHBondContact OD1-N 2.59Å; Q730-Y732 VanDerWaalsContact C-N 3.33Å; Q730-Y732 PolarHBondContact O-N 3.46Å; Q730-M733 PolarHBondContact O-N 3.35Å; Q730-D734 PolarHBondContact NE2-OD1 3.29Å; Q730-D734 WeakPolarHBondContact O-CB 3.44Å; Q730-D734 PolarHBondContact O-N 3.3Å
731	Y	95.8	Very high	93.6	Very high	8 Å²	8	61.5 Å²	61.5	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-55	-46.8	175.9	165.8	-98.6	0	0	0	112.4	N690 Y727 N728 L729 L735 I914 Y965	N690-Y731 VanDerWaalsContact CB-OH 3.29Å; N690-Y731 WeakPolarHBondContact CB-OH 3.22Å; N690-Y731 PolarHBondContact ND2-OH 3.03Å; Y727-Y731 AromaticContact CD1-CD1 3.84Å; Y727-Y731 HydrophobicContact CD1-CD1 3.84Å; Y727-Y731 AromaticContact CD1-CE1 3.56Å; Y727-Y731 HydrophobicContact CD1-CE1 3.56Å; Y727-Y731 HydrophobicContact CD1-CE2 4.45Å; Y727-Y731 HydrophobicContact CD1-CG 4.39Å; Y727-Y731 AromaticContact CD1-CZ 3.88Å; Y727-Y731 HydrophobicContact CE1-CE1 4.08Å; Y727-Y731 HydrophobicContact CE1-CE2 4.49Å; Y727-Y731 AromaticContact CE1-CZ 3.95Å; N728-Y731 WeakPolarHBondContact O-CB 3.45Å; N728-Y731 PolarHBondContact O-N 3.11Å; N728-Y731 PolarHBondContact OD1-N 3.49Å; L729-Y731 VanDerWaalsContact C-N 3.32Å; L729-Y731 PolarHBondContact O-N 2.83Å; Y731-L735 HydrophobicContact CD1-CD1 4.46Å; Y731-L735 HydrophobicContact CE1-CD1 3.75Å; Y731-L735 HydrophobicContact CE2-CD1 3.82Å; Y731-L735 HydrophobicContact CE2-CG 4.41Å; Y731-L735 PolarHBondContact O-N 3.03Å; Y731-L735 VanDerWaalsContact O-N 3.17Å; Y731-L735 WeakPolarHBondContact OH-CD1 3.25Å; Y731-I914 VanDerWaalsContact OH-CD1 3.29Å; Y731-I914 WeakPolarHBondContact OH-CD1 3.5Å; Y731-Y965 AromaticContact CD2-CD1 3.77Å; Y731-Y965 HydrophobicContact CD2-CD1 3.77Å; Y731-Y965 AromaticContact CD2-CD2 3.94Å; Y731-Y965 HydrophobicContact CD2-CD2 3.94Å; Y731-Y965 AromaticContact CD2-CE1 3.64Å; Y731-Y965 HydrophobicContact CD2-CE1 3.64Å; Y731-Y965 AromaticContact CD2-CE2 3.81Å; Y731-Y965 HydrophobicContact CD2-CE2 3.81Å; Y731-Y965 AromaticContact CD2-CG 3.92Å; Y731-Y965 HydrophobicContact CD2-CG 3.92Å; Y731-Y965 AromaticContact CD2-CZ 3.65Å; Y731-Y965 AromaticContact CE2-CD1 3.75Å; Y731-Y965 HydrophobicContact CE2-CD1 3.75Å; Y731-Y965 AromaticContact CE2-CD2 3.68Å; Y731-Y965 HydrophobicContact CE2-CD2 3.68Å; Y731-Y965 HydrophobicContact CE2-CE1 4.11Å; Y731-Y965 HydrophobicContact CE2-CE2 4.05Å; Y731-Y965 AromaticContact CE2-CG 3.52Å; Y731-Y965 HydrophobicContact CE2-CG 3.52Å; Y731-Y965 HydrophobicContact CG-CE1 4.44Å
732	Y	97	Very high	93.8	Very high	2 Å²	2	61 Å²	61	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-69.8	-38.8	179	-68	-68.4	0	0	0	112.4	I713 Y715 S716 L719 Y727 N728 L729 Q730 L735 T736 L764	I713-Y732 HydrophobicContact CG2-CD1 3.73Å; I713-Y732 HydrophobicContact CG2-CE1 4.09Å; Y715-Y732 AromaticContact CD2-CE1 3.96Å; Y715-Y732 HydrophobicContact CD2-CE1 3.96Å; Y715-Y732 HydrophobicContact CD2-CE2 4.05Å; Y715-Y732 AromaticContact CD2-CZ 3.56Å; Y715-Y732 WeakPolarHBondContact CD2-OH 3.18Å; Y715-Y732 AromaticContact CE2-CE2 3.98Å; Y715-Y732 HydrophobicContact CE2-CE2 3.98Å; Y715-Y732 AromaticContact CE2-CZ 3.92Å; S716-Y732 PolarHBondContact N-OH 2.9Å; S716-Y732 PolarHBondContact O-OH 3.41Å; L719-Y732 HydrophobicContact CD1-CD2 3.95Å; L719-Y732 HydrophobicContact CD1-CE2 4.12Å; L719-Y732 HydrophobicContact CD2-CD2 3.85Å; L719-Y732 HydrophobicContact CD2-CE2 3.87Å; L719-Y732 HydrophobicContact CG-CD2 4.21Å; L719-Y732 HydrophobicContact CG-CE2 4.03Å; Y727-Y732 WeakPolarHBondContact O-CE2 3.23Å; N728-Y732 WeakPolarHBondContact O-CD2 3.28Å; N728-Y732 PolarHBondContact O-N 3.21Å; L729-Y732 PolarHBondContact O-N 3.46Å; Q730-Y732 VanDerWaalsContact C-N 3.33Å; Q730-Y732 PolarHBondContact O-N 3.46Å; Y732-L735 PolarHBondContact O-N 2.74Å; Y732-T736 WeakPolarHBondContact O-CB 3.42Å; Y732-T736 PolarHBondContact O-N 3.48Å; Y732-T736 PolarHBondContact O-OG1 3.19Å; Y732-L764 HydrophobicContact CD2-CD1 4.49Å; Y732-L764 HydrophobicContact CG-CD1 4.11Å
733	M	97.4	Very high	94.3	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.064	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-36.6	177.5	-66.2	-51.2	-61.5	0	0	112	L729 Q730 T736 D737 A767 I768 R771	L729-M733 HydrophobicContact CD1-CG 4.05Å; L729-M733 HydrophobicContact CD1-SD 4.39Å; L729-M733 HydrophobicContact CG-CG 4.1Å; L729-M733 VanDerWaalsContact O-CG 3.3Å; L729-M733 WeakPolarHBondContact O-CG 3.5Å; L729-M733 PolarHBondContact O-N 3.3Å; Q730-M733 PolarHBondContact O-N 3.35Å; M733-T736 WeakPolarHBondContact O-CB 3.44Å; M733-T736 PolarHBondContact O-N 2.83Å; M733-D737 PolarHBondContact O-N 2.76Å; M733-A767 WeakPolarHBondContact CE-O 3.34Å; M733-A767 HydrophobicContact SD-CB 3.9Å; M733-I768 HydrophobicContact CE-CG1 4.48Å; M733-I768 HydrophobicContact SD-CG1 3.86Å; M733-R771 HydrophobicContact CE-CB 3.68Å; M733-R771 HydrophobicContact CE-CG 4.13Å
734	D	96.8	Very high	94.8	Very high	70 Å²	70	48.9 Å²	48.9	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-45	174.8	-71.8	-16.4	0	0	0	111.2	Q730 T736 D737 Q738	Q730-D734 PolarHBondContact NE2-OD1 3.29Å; Q730-D734 WeakPolarHBondContact O-CB 3.44Å; Q730-D734 PolarHBondContact O-N 3.3Å; D734-T736 VanDerWaalsContact C-N 3.32Å; D734-T736 PolarHBondContact O-N 2.95Å; D734-D737 PolarHBondContact O-N 3.33Å; D734-Q738 VanDerWaalsContact O-CG 3.26Å; D734-Q738 WeakPolarHBondContact O-CG 3.4Å; D734-Q738 PolarHBondContact O-N 3.23Å; D734-Q738 VanDerWaalsContact O-N 3.16Å
735	L	96.6	Very high	95.5	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-40.3	174	-75.6	176.6	0	0	0	111.7	N690 I713 Y731 Y732 D737 Q738 L739	N690-L735 HydrophobicContact CB-CD1 3.86Å; I713-L735 HydrophobicContact CD1-CB 3.82Å; I713-L735 HydrophobicContact CG1-CB 4.2Å; I713-L735 HydrophobicContact CG2-CD1 3.86Å; Y731-L735 HydrophobicContact CD1-CD1 4.46Å; Y731-L735 HydrophobicContact CE1-CD1 3.75Å; Y731-L735 HydrophobicContact CE2-CD1 3.82Å; Y731-L735 HydrophobicContact CE2-CG 4.41Å; Y731-L735 PolarHBondContact O-N 3.03Å; Y731-L735 VanDerWaalsContact O-N 3.17Å; Y731-L735 WeakPolarHBondContact OH-CD1 3.25Å; Y732-L735 PolarHBondContact O-N 2.74Å; L735-D737 VanDerWaalsContact C-N 3.33Å; L735-D737 PolarHBondContact O-N 3.42Å; L735-Q738 PolarHBondContact O-N 2.95Å; L735-L739 WeakPolarHBondContact O-CG 3.32Å; L735-L739 PolarHBondContact O-N 3.42Å
736	T	97.7	Very high	96.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-48.8	175.4	-60.1	0	0	0	0	110.3	I713 Y732 M733 D734 Q738 L739 V740 L747 I768 Y772	I713-T736 WeakPolarHBondContact CD1-OG1 3.4Å; Y732-T736 WeakPolarHBondContact O-CB 3.42Å; Y732-T736 PolarHBondContact O-N 3.48Å; Y732-T736 PolarHBondContact O-OG1 3.19Å; M733-T736 WeakPolarHBondContact O-CB 3.44Å; M733-T736 PolarHBondContact O-N 2.83Å; D734-T736 VanDerWaalsContact C-N 3.32Å; D734-T736 PolarHBondContact O-N 2.95Å; T736-Q738 VanDerWaalsContact C-N 3.27Å; T736-Q738 PolarHBondContact O-N 3.39Å; T736-L739 PolarHBondContact O-N 2.93Å; T736-V740 HydrophobicContact CG2-CG2 4.22Å; T736-V740 VanDerWaalsContact O-CG2 3.24Å; T736-V740 WeakPolarHBondContact O-CG2 3.4Å; T736-V740 PolarHBondContact O-N 3.44Å; T736-L747 HydrophobicContact CG2-CD1 4.36Å; T736-L747 HydrophobicContact CG2-CD2 3.64Å; T736-I768 HydrophobicContact CG2-CG1 4.45Å; T736-I768 HydrophobicContact CG2-CG2 4.38Å; T736-Y772 HydrophobicContact CG2-CD2 3.73Å; T736-Y772 HydrophobicContact CG2-CE2 3.77Å
737	D	97.8	Very high	96.5	Very high	29 Å²	29	38.4 Å²	38.4	16%	0.155	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-41.8	178.2	-62.3	-17.1	0	0	0	112.4	M733 D734 L735 K741 R771 Y772	M733-D737 PolarHBondContact O-N 2.76Å; D734-D737 PolarHBondContact O-N 3.33Å; L735-D737 VanDerWaalsContact C-N 3.33Å; L735-D737 PolarHBondContact O-N 3.42Å; D737-K741 WeakPolarHBondContact O-CB 3.41Å; D737-K741 PolarHBondContact O-N 3.43Å; D737-R771 VanDerWaalsContact CG-NH2 3.3Å; D737-R771 IonicContact OD1-CZ 3.68Å; D737-R771 IonicContact OD1-NE 2.82Å; D737-R771 PolarHBondContact OD1-NE 2.85Å; D737-R771 IonicContact OD1-NH1 2.79Å; D737-R771 PolarHBondContact OD1-NH1 2.85Å; D737-R771 IonicContact OD1-NH2 3.9Å; D737-R771 PolarHBondContact OD1-NH2 2.7Å; D737-R771 IonicContact OD2-CZ 2.91Å; D737-R771 IonicContact OD2-NE 2.71Å; D737-R771 IonicContact OD2-NH1 3.22Å; D737-R771 PolarHBondContact OD2-NH1 3.14Å; D737-R771 IonicContact OD2-NH2 3.62Å; D737-R771 PolarHBondContact OD2-NH2 3.13Å; D737-Y772 WeakPolarHBondContact CA-OH 3.19Å; D737-Y772 WeakPolarHBondContact OD1-CE2 3.38Å; D737-Y772 PolarHBondContact OD1-OH 2.95Å
738	Q	97.1	Very high	96.7	Very high	82 Å²	82	38 Å²	38	38%	0.383	20%	0.204	S	C	.	.	H	α-helix	trans	-68.9	-41.4	-179.1	-63.5	-69.7	-17.9	0	0	112	L692 D734 L735 T736 K741 A742	L692-Q738 HydrophobicContact CD1-CB 3.74Å; L692-Q738 HydrophobicContact CD2-CB 3.7Å; L692-Q738 HydrophobicContact CD2-CG 3.7Å; L692-Q738 HydrophobicContact CG-CB 4.38Å; D734-Q738 VanDerWaalsContact O-CG 3.26Å; D734-Q738 WeakPolarHBondContact O-CG 3.4Å; D734-Q738 PolarHBondContact O-N 3.23Å; D734-Q738 VanDerWaalsContact O-N 3.16Å; L735-Q738 PolarHBondContact O-N 2.95Å; T736-Q738 VanDerWaalsContact C-N 3.27Å; T736-Q738 PolarHBondContact O-N 3.39Å; Q738-K741 PolarHBondContact O-N 2.87Å; Q738-A742 VanDerWaalsContact O-CB 3.29Å; Q738-A742 WeakPolarHBondContact O-CB 3.43Å; Q738-A742 PolarHBondContact O-N 3.42Å
739	L	97.1	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.9	-39.2	178.2	-64.5	-178.2	0	0	0	112.1	L692 L695 M699 I713 L735 T736 A742 G743 T744 L747	L692-L739 HydrophobicContact CD1-CD2 4.19Å; L695-L739 HydrophobicContact CB-CD2 4.36Å; L695-L739 HydrophobicContact CD1-CD2 4.39Å; M699-L739 HydrophobicContact SD-CD2 3.6Å; M699-L739 VanDerWaalsContact SD-CD2 3.6Å; I713-L739 HydrophobicContact CD1-CD1 4.08Å; I713-L739 HydrophobicContact CG1-CD1 3.48Å; I713-L739 VanDerWaalsContact CG1-CD1 3.48Å; L735-L739 WeakPolarHBondContact O-CG 3.32Å; L735-L739 PolarHBondContact O-N 3.42Å; T736-L739 PolarHBondContact O-N 2.93Å; L739-A742 PolarHBondContact O-N 2.88Å; L739-G743 PolarHBondContact O-N 3.28Å; L739-T744 HydrophobicContact CB-CG2 4.33Å; L739-T744 WeakPolarHBondContact O-CB 3.48Å; L739-T744 PolarHBondContact O-N 3.31Å; L739-T744 VanDerWaalsContact O-N 3.13Å; L739-L747 HydrophobicContact CB-CD1 4.26Å; L739-L747 HydrophobicContact CD1-CD1 3.97Å
740	V	96.5	Very high	97	Very high	37 Å²	37	32.7 Å²	32.7	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-46.9	173.4	176.7	0	0	0	0	110	T736 A742 G743 Y772 I775	T736-V740 HydrophobicContact CG2-CG2 4.22Å; T736-V740 VanDerWaalsContact O-CG2 3.24Å; T736-V740 WeakPolarHBondContact O-CG2 3.4Å; T736-V740 PolarHBondContact O-N 3.44Å; V740-A742 VanDerWaalsContact C-N 3.25Å; V740-A742 PolarHBondContact O-N 3.47Å; V740-G743 PolarHBondContact O-N 2.73Å; V740-Y772 HydrophobicContact CB-CD1 4.48Å; V740-Y772 HydrophobicContact CB-CE1 4.06Å; V740-Y772 HydrophobicContact CG1-CD1 3.91Å; V740-Y772 HydrophobicContact CG1-CE1 3.59Å; V740-Y772 HydrophobicContact CG2-CD1 4.12Å; V740-Y772 HydrophobicContact CG2-CD2 4.02Å; V740-Y772 HydrophobicContact CG2-CE1 4.07Å; V740-Y772 HydrophobicContact CG2-CE2 3.95Å; V740-Y772 HydrophobicContact CG2-CG 4.09Å; V740-I775 HydrophobicContact CG2-CD1 3.7Å
741	K	96.3	Very high	97.1	Very high	175 Å²	175	27.5 Å²	27.5	76%	0.761	15%	0.152	S	C	*	.	H	α-helix	trans	-61.9	-33.1	176.8	-176.1	179.6	177.2	-175.9	0	112.8	D737 Q738 G743	D737-K741 WeakPolarHBondContact O-CB 3.41Å; D737-K741 PolarHBondContact O-N 3.43Å; Q738-K741 PolarHBondContact O-N 2.87Å; K741-G743 PolarHBondContact O-N 3.05Å
742	A	95.2	Very high	97.1	Very high	42 Å²	42	27.3 Å²	27.3	35%	0.347	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.2	175.6	0	0	0	0	0	113.7	I696 M699 Q738 L739 V740	I696-A742 HydrophobicContact CG1-CB 4.15Å; M699-A742 HydrophobicContact CE-CB 3.73Å; M699-A742 HydrophobicContact SD-CB 4.27Å; Q738-A742 VanDerWaalsContact O-CB 3.29Å; Q738-A742 WeakPolarHBondContact O-CB 3.43Å; Q738-A742 PolarHBondContact O-N 3.42Å; L739-A742 PolarHBondContact O-N 2.88Å; V740-A742 VanDerWaalsContact C-N 3.25Å; V740-A742 PolarHBondContact O-N 3.47Å
743	G	94.7	Very high	96.9	Very high	44 Å²	44	27.2 Å²	27.2	45%	0.454	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	32.9	173.8	0	0	0	0	0	114.5	L739 V740 K741 H745	L739-G743 PolarHBondContact O-N 3.28Å; V740-G743 PolarHBondContact O-N 2.73Å; K741-G743 PolarHBondContact O-N 3.05Å; G743-H745 PolarHBondContact O-N 2.82Å
744	T	97.3	Very high	96.9	Very high	12 Å²	12	26.8 Å²	26.8	7%	0.074	15%	0.15	C	C	.	.			trans	-61.6	133.6	171.9	-158.2	0	0	0	0	111.1	V709 G711 L739 I746 I775	V709-T744 PolarHBondContact O-OG1 3.28Å; G711-T744 WeakPolarHBondContact CA-OG1 3.47Å; G711-T744 PolarHBondContact N-OG1 3.29Å; L739-T744 HydrophobicContact CB-CG2 4.33Å; L739-T744 WeakPolarHBondContact O-CB 3.48Å; L739-T744 PolarHBondContact O-N 3.31Å; L739-T744 VanDerWaalsContact O-N 3.13Å; T744-I746 PolarHBondContact OG1-O 2.92Å; T744-I775 HydrophobicContact CG2-CD1 3.57Å
745	H	97.9	Very high	96.8	Very high	35 Å²	35	23.7 Å²	23.7	16%	0.162	13%	0.133	C	C	.	.	S	Bend	trans	-81.1	-35.2	176.6	-59.2	102	0	0	0	111.2	S563 V708 V709 G743	S563-H745 WeakPolarHBondContact CB-O 3.11Å; S563-H745 PolarHBondContact OG-O 3.34Å; V708-H745 HydrophobicContact CG1-CB 4.07Å; V709-H745 VanDerWaalsContact CB-ND1 3.34Å; V709-H745 WeakPolarHBondContact CB-ND1 3.26Å; V709-H745 PolarHBondContact N-ND1 3.44Å; V709-H745 WeakPolarHBondContact O-CB 3.18Å; V709-H745 PolarHBondContact O-N 3.21Å; G743-H745 PolarHBondContact O-N 2.82Å
746	I	98.5	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.7	178.1	-57.6	174.5	0	0	0	106.7	I566 F611 V708 V709 E710 G711 T744 P776 H778 I802	I566-I746 HydrophobicContact CD1-CD1 3.62Å; I566-I746 HydrophobicContact CD1-CG1 4.13Å; F611-I746 HydrophobicContact CZ-CD1 3.88Å; V708-I746 HydrophobicContact CG1-CD1 3.92Å; V708-I746 HydrophobicContact CG1-CG1 4.33Å; V709-I746 PolarHBondContact O-N 3.4Å; E710-I746 WeakPolarHBondContact CA-O 3.13Å; E710-I746 HydrophobicContact CB-CB 4.18Å; E710-I746 HydrophobicContact CG-CB 4.06Å; E710-I746 HydrophobicContact CG-CG2 3.96Å; G711-I746 PolarHBondContact N-O 3.49Å; T744-I746 PolarHBondContact OG1-O 2.92Å; I746-P776 HydrophobicContact CG1-CB 4.25Å; I746-P776 HydrophobicContact CG2-CB 4.24Å; I746-H778 HydrophobicContact CG2-CB 3.69Å; I746-I802 HydrophobicContact CD1-CD1 4.3Å; I746-I802 HydrophobicContact CG2-CD1 4.33Å
747	L	98.5	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.1	173.9	-177.1	72.9	0	0	0	109.5	I713 T736 L739 I768 I775 P776 I777 H778	I713-L747 HydrophobicContact CD1-CD1 4.24Å; T736-L747 HydrophobicContact CG2-CD1 4.36Å; T736-L747 HydrophobicContact CG2-CD2 3.64Å; L739-L747 HydrophobicContact CB-CD1 4.26Å; L739-L747 HydrophobicContact CD1-CD1 3.97Å; L747-I768 HydrophobicContact CD2-CD1 4.01Å; L747-I768 HydrophobicContact CD2-CG1 4.41Å; L747-I768 HydrophobicContact CD2-CG2 3.52Å; L747-I775 HydrophobicContact CB-CD1 4.35Å; L747-P776 PolarHBondContact N-O 3.04Å; L747-I777 WeakPolarHBondContact O-CA 3.45Å; L747-H778 PolarHBondContact O-N 3.49Å
748	G	98.1	Very high	96.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.5	176.5	0	0	0	0	0	112.2	G711 S712 I713 H778	G711-G748 PolarHBondContact O-N 3.29Å; S712-G748 CarbonylContact C-O 3.56Å; S712-G748 VanDerWaalsContact CA-O 3.25Å; S712-G748 WeakPolarHBondContact CA-O 3.48Å; I713-G748 PolarHBondContact N-O 3.28Å; G748-H778 CarbonylContact C-O 3.43Å; G748-H778 WeakPolarHBondContact CA-O 3.31Å
749	I	98.3	Very high	96.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.6	165.8	-56	-60.5	0	0	0	107.5	I713 L764 L765 I768 I777 H778 L779 H780	I713-I749 HydrophobicContact CB-CD1 4.28Å; I713-I749 HydrophobicContact CD1-CD1 4.39Å; I749-L764 HydrophobicContact CD1-CD2 4.45Å; I749-L764 HydrophobicContact CG2-CD2 4.06Å; I749-L765 HydrophobicContact CG1-CD2 4.45Å; I749-I768 HydrophobicContact CD1-CD1 3.84Å; I749-I768 HydrophobicContact CG1-CD1 4.34Å; I749-I777 HydrophobicContact CG1-CG2 4.34Å; I749-H778 PolarHBondContact N-O 2.97Å; I749-L779 HydrophobicContact CB-CD1 3.95Å; I749-L779 HydrophobicContact CG2-CD1 3.86Å; I749-H780 PolarHBondContact O-N 3.09Å
750	K	97.5	Very high	96.4	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	95.1	-177.6	-174.1	171.4	179.6	61	0	110.9	D581 L651 I713 C714 Y715 M752 H780	D581-K750 IonicContact OD2-NZ 2.91Å; L651-K750 HydrophobicContact CD1-CD 4.22Å; I713-K750 PolarHBondContact O-N 3.39Å; C714-K750 WeakPolarHBondContact CA-O 3.21Å; Y715-K750 PolarHBondContact N-O 3.25Å; K750-M752 HydrophobicContact CG-CB 4.44Å; K750-M752 PolarHBondContact O-N 3.03Å; K750-H780 PolarHBondContact NZ-CD2 2.79Å; K750-H780 PolarHBondContact NZ-NE2 3.35Å
751	D	97.2	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	79.6	168.3	176.4	21.5	0	0	0	110.7	A753 G754 L755 L756 H780 T781 H782	D751-A753 PolarHBondContact O-N 2.77Å; D751-A753 VanDerWaalsContact O-N 3.16Å; D751-G754 PolarHBondContact O-N 3Å; D751-G754 PolarHBondContact OD1-N 2.67Å; D751-G754 VanDerWaalsContact OD2-C 3.27Å; D751-G754 WeakPolarHBondContact OD2-CA 3.49Å; D751-L755 VanDerWaalsContact CG-N 3.27Å; D751-L755 PolarHBondContact OD1-N 2.75Å; D751-L755 PolarHBondContact OD2-N 3.07Å; D751-L756 HydrophobicContact CB-CB 4.19Å; D751-L756 VanDerWaalsContact OD2-CB 3.26Å; D751-L756 WeakPolarHBondContact OD2-CB 3.28Å; D751-L756 PolarHBondContact OD2-N 3.03Å; D751-H780 WeakPolarHBondContact CA-O 3.3Å; D751-H780 WeakPolarHBondContact CB-O 3.46Å; D751-H780 PolarHBondContact N-O 3.42Å; D751-T781 WeakPolarHBondContact O-CA 3.3Å; D751-T781 PolarHBondContact OD2-OG1 2.89Å; D751-H782 PolarHBondContact O-N 3.37Å
752	M	94.4	Very high	96.5	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.02	12%	0.123	C	C	.	.	S	Bend	trans	-66.2	-13.2	-173.7	62.1	-83.2	174.5	0	0	115.4	C714 Y715 K750 H782 P876 G877 I914 K915 V916	C714-M752 HydrophobicContact CB-SD 4.01Å; Y715-M752 WeakPolarHBondContact O-CE 3.19Å; K750-M752 HydrophobicContact CG-CB 4.44Å; K750-M752 PolarHBondContact O-N 3.03Å; M752-H782 VanDerWaalsContact C-CD2 3.47Å; M752-H782 PolarHBondContact O-CD2 2.99Å; M752-H782 VanDerWaalsContact O-CD2 3.23Å; M752-P876 HydrophobicContact CB-CB 4.33Å; M752-P876 HydrophobicContact CG-CB 4.17Å; M752-P876 HydrophobicContact CG-CG 4Å; M752-P876 WeakPolarHBondContact O-CA 3.47Å; M752-P876 WeakPolarHBondContact O-CB 3.48Å; M752-G877 PolarHBondContact O-N 3.41Å; M752-I914 HydrophobicContact CE-CG2 3.93Å; M752-K915 WeakPolarHBondContact CE-O 3.5Å; M752-K915 WeakPolarHBondContact CG-O 3.33Å; M752-V916 HydrophobicContact CB-CB 4.4Å; M752-V916 HydrophobicContact CB-CG2 4.05Å; M752-V916 HydrophobicContact CG-CB 3.92Å; M752-V916 HydrophobicContact CG-CG2 4.13Å; M752-V916 HydrophobicContact SD-CB 4.3Å
753	A	94.8	Very high	96.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-117.1	-12.9	-178.8	0	0	0	0	0	113.7	D751 L755 T784 V870	D751-A753 PolarHBondContact O-N 2.77Å; D751-A753 VanDerWaalsContact O-N 3.16Å; A753-L755 HydrophobicContact CB-CD1 4.42Å; A753-L755 HydrophobicContact CB-CD2 4.2Å; A753-L755 HydrophobicContact CB-CG 3.99Å; A753-T784 WeakPolarHBondContact O-CB 3.22Å; A753-T784 PolarHBondContact O-OG1 3.47Å; A753-V870 HydrophobicContact CB-CG2 4.14Å; A753-V870 WeakPolarHBondContact O-CG2 3.2Å
754	G	95.6	Very high	96.6	Very high	5 Å²	5	20.2 Å²	20.2	5%	0.052	10%	0.1	C	C	.	.	S	Bend	trans	84.2	37.8	-175.8	0	0	0	0	0	112.4	D751 H782 Y871	D751-G754 PolarHBondContact O-N 3Å; D751-G754 PolarHBondContact OD1-N 2.67Å; D751-G754 VanDerWaalsContact OD2-C 3.27Å; D751-G754 WeakPolarHBondContact OD2-CA 3.49Å; G754-H782 WeakPolarHBondContact CA-O 3.36Å; G754-Y871 WeakPolarHBondContact O-CE1 3.38Å
755	L	96	Very high	96.6	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.026	10%	0.096	C	C	.	.			trans	-88.2	-21.4	-178.3	-55.1	-179.9	0	0	0	113	Y715 D751 A753 K757 V870 Y871 Q874	Y715-L755 HydrophobicContact CD1-CB 3.99Å; Y715-L755 HydrophobicContact CE1-CB 3.78Å; D751-L755 VanDerWaalsContact CG-N 3.27Å; D751-L755 PolarHBondContact OD1-N 2.75Å; D751-L755 PolarHBondContact OD2-N 3.07Å; A753-L755 HydrophobicContact CB-CD1 4.42Å; A753-L755 HydrophobicContact CB-CD2 4.2Å; A753-L755 HydrophobicContact CB-CG 3.99Å; L755-K757 PolarHBondContact O-N 2.67Å; L755-V870 HydrophobicContact CD2-CG2 4.28Å; L755-V870 VanDerWaalsContact CD2-O 3.28Å; L755-V870 WeakPolarHBondContact CD2-O 3.26Å; L755-Y871 HydrophobicContact CD2-CD1 4.28Å; L755-Q874 HydrophobicContact CD1-CB 4.04Å; L755-Q874 HydrophobicContact CD1-CG 3.81Å; L755-Q874 HydrophobicContact CD2-CB 4.3Å; L755-Q874 HydrophobicContact CD2-CG 3.96Å
756	L	95.5	Very high	96.6	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	10%	0.104	C	C	.	.			trans	-73.7	95.9	-174.1	-168	70.3	0	0	0	109.4	Y715 D751 A760 A761 L764 L779 C791	Y715-L756 HydrophobicContact CD1-CB 4.11Å; Y715-L756 HydrophobicContact CD1-CD1 4.18Å; Y715-L756 HydrophobicContact CD2-CD1 3.84Å; Y715-L756 HydrophobicContact CE1-CB 4.07Å; Y715-L756 HydrophobicContact CE1-CD1 3.85Å; Y715-L756 HydrophobicContact CE2-CD1 3.46Å; Y715-L756 VanDerWaalsContact CE2-CD1 3.46Å; Y715-L756 HydrophobicContact CG-CD1 4.19Å; Y715-L756 VanDerWaalsContact CZ-CD1 3.47Å; D751-L756 HydrophobicContact CB-CB 4.19Å; D751-L756 VanDerWaalsContact OD2-CB 3.26Å; D751-L756 WeakPolarHBondContact OD2-CB 3.28Å; D751-L756 PolarHBondContact OD2-N 3.03Å; L756-A760 HydrophobicContact CD1-CB 3.88Å; L756-A761 HydrophobicContact CD2-CB 3.79Å; L756-A761 HydrophobicContact CG-CB 3.9Å; L756-L764 HydrophobicContact CD1-CD2 4.42Å; L756-L779 HydrophobicContact CD2-CD1 3.68Å; L756-L779 HydrophobicContact CD2-CD2 4.3Å; L756-C791 WeakPolarHBondContact O-CB 3.05Å; L756-C791 PolarHBondContact O-SG 3.28Å
757	K	95.6	Very high	96.6	Very high	68 Å²	68	21.3 Å²	21.3	30%	0.296	11%	0.113	S	C	.	.			trans	-66	154	175	-63.8	170.3	-173.3	169.8	0	110.1	D718 L755 N759 A760 A761 Y871	D718-K757 IonicContact OD2-NZ 3.08Å; D718-K757 PolarHBondContact OD2-NZ 3.32Å; L755-K757 PolarHBondContact O-N 2.67Å; K757-N759 VanDerWaalsContact C-N 3.26Å; K757-N759 PolarHBondContact O-N 3.09Å; K757-N759 VanDerWaalsContact O-N 3.09Å; K757-A760 HydrophobicContact CB-CB 4.43Å; K757-A760 WeakPolarHBondContact O-CA 3.32Å; K757-A760 WeakPolarHBondContact O-CB 3.3Å; K757-A760 PolarHBondContact O-N 2.79Å; K757-A761 PolarHBondContact O-N 2.77Å; K757-Y871 HydrophobicContact CG-CE1 3.86Å
758	P	96.1	Very high	96.5	Very high	37 Å²	37	21.3 Å²	21.3	24%	0.24	11%	0.113	C	C	.	.	H	α-helix	trans	-50.9	-40.5	179.6	-29.8	35	0	0	0	114.5	A761 R762 A790 A794	P758-A761 PolarHBondContact O-N 3.15Å; P758-R762 WeakPolarHBondContact O-CG 3.19Å; P758-R762 PolarHBondContact O-N 3.06Å; P758-R762 VanDerWaalsContact O-N 3.11Å; P758-A790 HydrophobicContact CG-CB 4.05Å; P758-A794 HydrophobicContact CB-CB 3.8Å
759	N	95.2	Very high	96.5	Very high	91 Å²	91	22.6 Å²	22.6	49%	0.487	12%	0.117	S	C	.	.	H	α-helix	trans	-70.6	-38.3	177.2	-167	51	0	0	0	113	K757 A761 R762 I763	K757-N759 VanDerWaalsContact C-N 3.26Å; K757-N759 PolarHBondContact O-N 3.09Å; K757-N759 VanDerWaalsContact O-N 3.09Å; N759-A761 VanDerWaalsContact C-N 3.32Å; N759-R762 PolarHBondContact O-N 2.67Å; N759-I763 WeakPolarHBondContact O-CG1 3.43Å; N759-I763 PolarHBondContact O-N 2.74Å; N759-I763 VanDerWaalsContact O-N 3.07Å
760	A	95.6	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-37.6	175.5	0	0	0	0	0	111.2	L719 L756 K757 I763 L764	L719-A760 HydrophobicContact CB-CB 4.15Å; L756-A760 HydrophobicContact CD1-CB 3.88Å; K757-A760 HydrophobicContact CB-CB 4.43Å; K757-A760 WeakPolarHBondContact O-CA 3.32Å; K757-A760 WeakPolarHBondContact O-CB 3.3Å; K757-A760 PolarHBondContact O-N 2.79Å; A760-I763 PolarHBondContact O-N 2.93Å; A760-L764 WeakPolarHBondContact O-CB 3.45Å; A760-L764 PolarHBondContact O-N 2.67Å
761	A	96.4	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-48	172	0	0	0	0	0	111.3	L756 K757 P758 N759 I763 L764 L765	L756-A761 HydrophobicContact CD2-CB 3.79Å; L756-A761 HydrophobicContact CG-CB 3.9Å; K757-A761 PolarHBondContact O-N 2.77Å; P758-A761 PolarHBondContact O-N 3.15Å; N759-A761 VanDerWaalsContact C-N 3.32Å; A761-I763 PolarHBondContact O-N 3Å; A761-L764 PolarHBondContact O-N 3.32Å; A761-L765 HydrophobicContact CB-CD1 4.27Å; A761-L765 VanDerWaalsContact O-CB 3.26Å; A761-L765 WeakPolarHBondContact O-CB 3.24Å; A761-L765 VanDerWaalsContact O-CG 3.23Å; A761-L765 WeakPolarHBondContact O-CG 3.47Å; A761-L765 PolarHBondContact O-N 3.41Å
762	R	97.3	Very high	96.4	Very high	94 Å²	94	36.8 Å²	36.8	36%	0.355	18%	0.181	S	C	.	.	H	α-helix	trans	-57.7	-46.6	176.5	-68.5	-172.6	-176.7	92.1	1	112.5	P758 N759 S766 A794 E797 S798	P758-R762 WeakPolarHBondContact O-CG 3.19Å; P758-R762 PolarHBondContact O-N 3.06Å; P758-R762 VanDerWaalsContact O-N 3.11Å; N759-R762 PolarHBondContact O-N 2.67Å; R762-S766 WeakPolarHBondContact O-CB 3.22Å; R762-S766 PolarHBondContact O-N 3.49Å; R762-S766 VanDerWaalsContact O-N 3.1Å; R762-S766 PolarHBondContact O-OG 3.23Å; R762-A794 HydrophobicContact CG-CB 4.23Å; R762-E797 IonicContact CZ-OE2 2.67Å; R762-E797 IonicContact NE-OE2 3.29Å; R762-E797 PolarHBondContact NE-OE2 3.44Å; R762-E797 IonicContact NH2-OE2 2.86Å; R762-E797 PolarHBondContact NH2-OE2 2.88Å; R762-S798 WeakPolarHBondContact CA-OG 3.4Å; R762-S798 WeakPolarHBondContact CG-OG 3.49Å
763	I	96.3	Very high	96.4	Very high	59 Å²	59	39.8 Å²	39.8	30%	0.303	20%	0.201	S	C	.	.	H	α-helix	trans	-60.3	-52	179.3	-67.2	164.6	0	0	0	110.7	L729 N759 A760 A761 A767	L729-I763 HydrophobicContact CD1-CG2 4.3Å; L729-I763 HydrophobicContact CD2-CG2 4.12Å; N759-I763 WeakPolarHBondContact O-CG1 3.43Å; N759-I763 PolarHBondContact O-N 2.74Å; N759-I763 VanDerWaalsContact O-N 3.07Å; A760-I763 PolarHBondContact O-N 2.93Å; A761-I763 PolarHBondContact O-N 3Å; I763-A767 VanDerWaalsContact O-CB 3.28Å; I763-A767 WeakPolarHBondContact O-CB 3.18Å; I763-A767 PolarHBondContact O-N 2.85Å
764	L	96.9	Very high	96.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-50.9	-175.1	-179.9	57.5	0	0	0	112	Y715 L719 L729 Y732 I749 L756 A760 A761 A767 I768	Y715-L764 HydrophobicContact CD2-CD2 4.14Å; Y715-L764 HydrophobicContact CE2-CD2 4.45Å; L719-L764 HydrophobicContact CD1-CB 3.77Å; L719-L764 HydrophobicContact CD1-CD1 4.16Å; L719-L764 HydrophobicContact CD1-CD2 4.33Å; L719-L764 HydrophobicContact CD1-CG 4.31Å; L729-L764 HydrophobicContact CD1-CD1 4.17Å; Y732-L764 HydrophobicContact CD2-CD1 4.49Å; Y732-L764 HydrophobicContact CG-CD1 4.11Å; I749-L764 HydrophobicContact CD1-CD2 4.45Å; I749-L764 HydrophobicContact CG2-CD2 4.06Å; L756-L764 HydrophobicContact CD1-CD2 4.42Å; A760-L764 WeakPolarHBondContact O-CB 3.45Å; A760-L764 PolarHBondContact O-N 2.67Å; A761-L764 PolarHBondContact O-N 3.32Å; L764-A767 PolarHBondContact O-N 3.05Å; L764-I768 HydrophobicContact CD1-CD1 3.84Å; L764-I768 HydrophobicContact CD1-CG1 4.31Å; L764-I768 HydrophobicContact CG-CD1 3.91Å; L764-I768 VanDerWaalsContact O-CG1 3.31Å; L764-I768 WeakPolarHBondContact O-CG1 3.36Å; L764-I768 PolarHBondContact O-N 3.14Å
765	L	97.5	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71	-39	-172.4	-63.1	171	0	0	0	111.9	I749 A761 A767 I768 R769 I777 L779 A795 V800	I749-L765 HydrophobicContact CG1-CD2 4.45Å; A761-L765 HydrophobicContact CB-CD1 4.27Å; A761-L765 VanDerWaalsContact O-CB 3.26Å; A761-L765 WeakPolarHBondContact O-CB 3.24Å; A761-L765 VanDerWaalsContact O-CG 3.23Å; A761-L765 WeakPolarHBondContact O-CG 3.47Å; A761-L765 PolarHBondContact O-N 3.41Å; L765-A767 VanDerWaalsContact C-N 3.35Å; L765-I768 PolarHBondContact O-N 3.42Å; L765-R769 VanDerWaalsContact O-CB 3.31Å; L765-R769 WeakPolarHBondContact O-CB 3.44Å; L765-R769 PolarHBondContact O-N 3.09Å; L765-I777 HydrophobicContact CD2-CG2 3.73Å; L765-L779 HydrophobicContact CD1-CD2 4.38Å; L765-A795 HydrophobicContact CD1-CB 3.33Å; L765-V800 HydrophobicContact CD1-CB 4.36Å
766	S	97.3	Very high	96.6	Very high	46 Å²	46	46.6 Å²	46.6	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-63.4	-43.2	174.4	-51.3	0	0	0	0	110.8	R762 I768 R769 D770	R762-S766 WeakPolarHBondContact O-CB 3.22Å; R762-S766 PolarHBondContact O-N 3.49Å; R762-S766 VanDerWaalsContact O-N 3.1Å; R762-S766 PolarHBondContact O-OG 3.23Å; S766-I768 PolarHBondContact O-N 2.86Å; S766-R769 PolarHBondContact O-N 3.23Å; S766-D770 WeakPolarHBondContact O-CB 3.35Å; S766-D770 PolarHBondContact O-N 3.01Å
767	A	97.4	Very high	96.7	Very high	23 Å²	23	46.4 Å²	46.4	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-40.1	177.4	0	0	0	0	0	112.8	L729 M733 I763 L764 L765 R771	L729-A767 HydrophobicContact CD1-CB 3.98Å; L729-A767 HydrophobicContact CD2-CB 4.2Å; M733-A767 WeakPolarHBondContact CE-O 3.34Å; M733-A767 HydrophobicContact SD-CB 3.9Å; I763-A767 VanDerWaalsContact O-CB 3.28Å; I763-A767 WeakPolarHBondContact O-CB 3.18Å; I763-A767 PolarHBondContact O-N 2.85Å; L764-A767 PolarHBondContact O-N 3.05Å; L765-A767 VanDerWaalsContact C-N 3.35Å; A767-R771 WeakPolarHBondContact O-CB 3.44Å; A767-R771 PolarHBondContact O-N 3.44Å
768	I	97.6	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-48.8	173.9	-68.4	167.5	0	0	0	110.3	M733 T736 L747 I749 L764 L765 S766 D770 R771 Y772 I777	M733-I768 HydrophobicContact CE-CG1 4.48Å; M733-I768 HydrophobicContact SD-CG1 3.86Å; T736-I768 HydrophobicContact CG2-CG1 4.45Å; T736-I768 HydrophobicContact CG2-CG2 4.38Å; L747-I768 HydrophobicContact CD2-CD1 4.01Å; L747-I768 HydrophobicContact CD2-CG1 4.41Å; L747-I768 HydrophobicContact CD2-CG2 3.52Å; I749-I768 HydrophobicContact CD1-CD1 3.84Å; I749-I768 HydrophobicContact CG1-CD1 4.34Å; L764-I768 HydrophobicContact CD1-CD1 3.84Å; L764-I768 HydrophobicContact CD1-CG1 4.31Å; L764-I768 HydrophobicContact CG-CD1 3.91Å; L764-I768 VanDerWaalsContact O-CG1 3.31Å; L764-I768 WeakPolarHBondContact O-CG1 3.36Å; L764-I768 PolarHBondContact O-N 3.14Å; L765-I768 PolarHBondContact O-N 3.42Å; S766-I768 PolarHBondContact O-N 2.86Å; I768-D770 PolarHBondContact O-N 3.31Å; I768-R771 PolarHBondContact O-N 3.42Å; I768-Y772 PolarHBondContact O-N 2.92Å; I768-I777 HydrophobicContact CB-CD1 4.1Å; I768-I777 HydrophobicContact CG2-CD1 3.5Å; I768-I777 HydrophobicContact CG2-CG1 3.96Å
769	R	97	Very high	97	Very high	29 Å²	29	41.4 Å²	41.4	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-62.7	-41.4	-178	178.4	57.9	68	-151.6	3.3	112.1	R567 L765 S766 R771 Y772 P773 I775 I777 G799 D801	R567-R769 VanDerWaalsContact NE-NH1 3.12Å; L765-R769 VanDerWaalsContact O-CB 3.31Å; L765-R769 WeakPolarHBondContact O-CB 3.44Å; L765-R769 PolarHBondContact O-N 3.09Å; S766-R769 PolarHBondContact O-N 3.23Å; R769-R771 VanDerWaalsContact C-N 3.32Å; R769-R771 PolarHBondContact O-N 2.66Å; R769-Y772 CarbonylContact O-C 3.58Å; R769-P773 PolarHBondContact NH1-O 3.26Å; R769-P773 VanDerWaalsContact NH1-O 3.08Å; R769-P773 WeakPolarHBondContact O-CA 3.37Å; R769-I775 PolarHBondContact NH1-O 3.47Å; R769-I777 HydrophobicContact CB-CD1 4.43Å; R769-G799 PolarHBondContact NE-O 2.8Å; R769-G799 PolarHBondContact NH2-O 3.3Å; R769-D801 IonicContact CZ-OD2 3.19Å; R769-D801 VanDerWaalsContact NH2-CG 3.32Å; R769-D801 IonicContact NH2-OD1 3.82Å; R769-D801 PolarHBondContact NH2-OD1 3.03Å; R769-D801 IonicContact NH2-OD2 2.69Å; R769-D801 PolarHBondContact NH2-OD2 3.05Å
770	D	97.1	Very high	97.1	Very high	134 Å²	134	37.1 Å²	37.1	72%	0.717	19%	0.187	S	C	*	.	H	α-helix	trans	-62.9	-39.8	176.7	-73.6	-15.1	0	0	0	111.4	S766 I768	S766-D770 WeakPolarHBondContact O-CB 3.35Å; S766-D770 PolarHBondContact O-N 3.01Å; I768-D770 PolarHBondContact O-N 3.31Å
771	R	97.2	Very high	97.2	Very high	116 Å²	116	37.2 Å²	37.2	44%	0.438	19%	0.187	S	C	.	.	H	α-helix	trans	-78.9	-35.3	-179.3	-164.6	169.4	-163.5	-175.2	-6	113.3	M733 D737 A767 I768 R769	M733-R771 HydrophobicContact CE-CB 3.68Å; M733-R771 HydrophobicContact CE-CG 4.13Å; D737-R771 VanDerWaalsContact CG-NH2 3.3Å; D737-R771 IonicContact OD1-CZ 3.68Å; D737-R771 IonicContact OD1-NE 2.82Å; D737-R771 PolarHBondContact OD1-NE 2.85Å; D737-R771 IonicContact OD1-NH1 2.79Å; D737-R771 PolarHBondContact OD1-NH1 2.85Å; D737-R771 IonicContact OD1-NH2 3.9Å; D737-R771 PolarHBondContact OD1-NH2 2.7Å; D737-R771 IonicContact OD2-CZ 2.91Å; D737-R771 IonicContact OD2-NE 2.71Å; D737-R771 IonicContact OD2-NH1 3.22Å; D737-R771 PolarHBondContact OD2-NH1 3.14Å; D737-R771 IonicContact OD2-NH2 3.62Å; D737-R771 PolarHBondContact OD2-NH2 3.13Å; A767-R771 WeakPolarHBondContact O-CB 3.44Å; A767-R771 PolarHBondContact O-N 3.44Å; I768-R771 PolarHBondContact O-N 3.42Å; R769-R771 VanDerWaalsContact C-N 3.32Å; R769-R771 PolarHBondContact O-N 2.66Å
772	Y	97	Very high	97.2	Very high	56 Å²	56	37.5 Å²	37.5	22%	0.22	19%	0.188	C	C	.	.			trans	-132	78.6	-177.2	-64.9	-70	0	0	0	111.2	T736 D737 V740 I768 R769 D774 I775	T736-Y772 HydrophobicContact CG2-CD2 3.73Å; T736-Y772 HydrophobicContact CG2-CE2 3.77Å; D737-Y772 WeakPolarHBondContact CA-OH 3.19Å; D737-Y772 WeakPolarHBondContact OD1-CE2 3.38Å; D737-Y772 PolarHBondContact OD1-OH 2.95Å; V740-Y772 HydrophobicContact CB-CD1 4.48Å; V740-Y772 HydrophobicContact CB-CE1 4.06Å; V740-Y772 HydrophobicContact CG1-CD1 3.91Å; V740-Y772 HydrophobicContact CG1-CE1 3.59Å; V740-Y772 HydrophobicContact CG2-CD1 4.12Å; V740-Y772 HydrophobicContact CG2-CD2 4.02Å; V740-Y772 HydrophobicContact CG2-CE1 4.07Å; V740-Y772 HydrophobicContact CG2-CE2 3.95Å; V740-Y772 HydrophobicContact CG2-CG 4.09Å; I768-Y772 PolarHBondContact O-N 2.92Å; R769-Y772 CarbonylContact O-C 3.58Å; Y772-D774 PolarHBondContact O-N 3.39Å; Y772-I775 PolarHBondContact O-N 2.88Å
773	P	96.2	Very high	97.2	Very high	68 Å²	68	34 Å²	34	44%	0.442	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.4	-175.8	-25.7	35.9	0	0	0	114.4	R567 R769	R567-P773 PolarHBondContact NE-O 2.87Å; R769-P773 PolarHBondContact NH1-O 3.26Å; R769-P773 VanDerWaalsContact NH1-O 3.08Å; R769-P773 WeakPolarHBondContact O-CA 3.37Å
774	D	95.2	Very high	97	Very high	135 Å²	135	31.2 Å²	31.2	72%	0.722	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.5	-171.8	-61	-44.5	0	0	0	114.1	R567 Y772	R567-D774 WeakPolarHBondContact CG-O 3.35Å; Y772-D774 PolarHBondContact O-N 3.39Å
775	I	96.2	Very high	96.8	Very high	18 Å²	18	32.3 Å²	32.3	9%	0.092	17%	0.171	C	C	.	.	S	Bend	trans	-86.8	130.4	-176.5	-156	161.4	0	0	0	111.3	V740 T744 L747 R769 Y772	V740-I775 HydrophobicContact CG2-CD1 3.7Å; T744-I775 HydrophobicContact CG2-CD1 3.57Å; L747-I775 HydrophobicContact CB-CD1 4.35Å; R769-I775 PolarHBondContact NH1-O 3.47Å; Y772-I775 PolarHBondContact O-N 2.88Å
776	P	98.2	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.			trans	-63.1	136.8	169	-25.2	35	0	0	0	112.2	S563 I566 R567 I746 L747 D801	S563-P776 WeakPolarHBondContact O-CG 3.36Å; S563-P776 VanDerWaalsContact OG-CD 3.26Å; S563-P776 WeakPolarHBondContact OG-CD 3.5Å; S563-P776 WeakPolarHBondContact OG-CG 3.27Å; I566-P776 HydrophobicContact CB-CB 4.28Å; I566-P776 HydrophobicContact CB-CG 4.05Å; I566-P776 HydrophobicContact CG2-CB 3.68Å; I566-P776 HydrophobicContact CG2-CG 3.99Å; R567-P776 HydrophobicContact CB-CG 4.16Å; I746-P776 HydrophobicContact CG1-CB 4.25Å; I746-P776 HydrophobicContact CG2-CB 4.24Å; L747-P776 PolarHBondContact N-O 3.04Å; P776-D801 WeakPolarHBondContact CA-OD2 3.27Å
777	I	98.5	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128	175.8	-50	170.5	0	0	0	109	L747 I749 L765 I768 R769 V800 D801 I802	L747-I777 WeakPolarHBondContact O-CA 3.45Å; I749-I777 HydrophobicContact CG1-CG2 4.34Å; L765-I777 HydrophobicContact CD2-CG2 3.73Å; I768-I777 HydrophobicContact CB-CD1 4.1Å; I768-I777 HydrophobicContact CG2-CD1 3.5Å; I768-I777 HydrophobicContact CG2-CG1 3.96Å; R769-I777 HydrophobicContact CB-CD1 4.43Å; I777-V800 HydrophobicContact CB-CG2 4.22Å; I777-V800 HydrophobicContact CG2-CG2 4.1Å; I777-V800 VanDerWaalsContact O-CG2 3.31Å; I777-V800 WeakPolarHBondContact O-CG2 3.5Å; I777-D801 PolarHBondContact N-OD2 2.93Å; I777-D801 PolarHBondContact O-N 3.1Å; I777-D801 VanDerWaalsContact O-N 3.09Å; I777-I802 PolarHBondContact O-N 2.75Å; I777-I802 VanDerWaalsContact O-N 3.1Å
778	H	98.6	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.8	178.4	-166.4	170.6	0	0	0	110.1	T575 Q649 R684 E710 I746 L747 G748 I749 I802 D804	T575-H778 PolarHBondContact OG1-CE1 2.86Å; T575-H778 PolarHBondContact OG1-NE2 3.4Å; T575-H778 VanDerWaalsContact OG1-NE2 3.16Å; Q649-H778 PolarHBondContact OE1-CE1 3.45Å; Q649-H778 VanDerWaalsContact OE1-CE1 3.32Å; R684-H778 PolarHBondContact NH2-CE1 3.4Å; R684-H778 PolarHBondContact NH2-ND1 2.98Å; R684-H778 PolarHBondContact NH2-NE2 3.01Å; R684-H778 VanDerWaalsContact NH2-NE2 3.12Å; E710-H778 VanDerWaalsContact CD-ND1 3.31Å; E710-H778 IonicContact OE1-CG 3.75Å; E710-H778 IonicContact OE1-ND1 2.99Å; E710-H778 PolarHBondContact OE1-ND1 3.27Å; E710-H778 IonicContact OE2-CE1 3.91Å; E710-H778 IonicContact OE2-CG 3.97Å; E710-H778 IonicContact OE2-ND1 3.57Å; E710-H778 PolarHBondContact OE2-ND1 2.83Å; I746-H778 HydrophobicContact CG2-CB 3.69Å; L747-H778 PolarHBondContact O-N 3.49Å; G748-H778 CarbonylContact C-O 3.43Å; G748-H778 WeakPolarHBondContact CA-O 3.31Å; I749-H778 PolarHBondContact N-O 2.97Å; H778-I802 WeakPolarHBondContact CA-O 3.45Å; H778-I802 HydrophobicContact CB-CB 4.22Å; H778-I802 HydrophobicContact CB-CD1 4.28Å; H778-I802 VanDerWaalsContact CD2-CG2 3.43Å; H778-I802 WeakPolarHBondContact CD2-CG2 3.39Å; H778-I802 PolarHBondContact CD2-O 2.76Å; H778-I802 WeakPolarHBondContact NE2-CG2 3.41Å; H778-D804 IonicContact CD2-OD1 3.9Å; H778-D804 IonicContact CE1-OD1 2.72Å; H778-D804 IonicContact NE2-OD1 3.73Å; H778-D804 PolarHBondContact NE2-OD1 3.4Å
779	L	98.6	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.4	178.8	177.3	65	0	0	0	111.3	I749 L756 L765 L792 A795 V800 I802 V803 D804	I749-L779 HydrophobicContact CB-CD1 3.95Å; I749-L779 HydrophobicContact CG2-CD1 3.86Å; L756-L779 HydrophobicContact CD2-CD1 3.68Å; L756-L779 HydrophobicContact CD2-CD2 4.3Å; L765-L779 HydrophobicContact CD1-CD2 4.38Å; L779-L792 HydrophobicContact CD2-CD2 3.81Å; L779-L792 HydrophobicContact CG-CD2 4.23Å; L779-A795 HydrophobicContact CD2-CB 3.41Å; L779-A795 VanDerWaalsContact CD2-CB 3.41Å; L779-V800 HydrophobicContact CB-CG2 3.83Å; L779-I802 PolarHBondContact N-O 3.21Å; L779-V803 HydrophobicContact CB-CG1 4.35Å; L779-V803 WeakPolarHBondContact O-CA 3.2Å; L779-D804 PolarHBondContact O-N 2.66Å
780	H	98.2	Very high	96.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.5	169.3	168.2	95.8	0	0	0	109.4	D581 R684 I749 K750 D751 H782 D804 Q816	D581-H780 IonicContact OD2-CE1 2.62Å; D581-H780 PolarHBondContact OD2-CE1 2.94Å; D581-H780 IonicContact OD2-NE2 3.21Å; R684-H780 PolarHBondContact NH1-ND1 3.49Å; I749-H780 PolarHBondContact O-N 3.09Å; K750-H780 PolarHBondContact NZ-CD2 2.79Å; K750-H780 PolarHBondContact NZ-NE2 3.35Å; D751-H780 WeakPolarHBondContact CA-O 3.3Å; D751-H780 WeakPolarHBondContact CB-O 3.46Å; D751-H780 PolarHBondContact N-O 3.42Å; H780-H782 AromaticContact CE1-NE2 3.86Å; H780-H782 AromaticContact NE2-CD2 3.48Å; H780-H782 PolarHBondContact NE2-CD2 2.94Å; H780-H782 AromaticContact NE2-NE2 3.27Å; H780-H782 PolarHBondContact NE2-NE2 2.93Å; H780-D804 HydrophobicContact CB-CB 4.34Å; H780-D804 IonicContact CE1-OD2 2.76Å; H780-D804 IonicContact CG-OD2 2.96Å; H780-D804 IonicContact ND1-OD2 3.46Å; H780-D804 PolarHBondContact ND1-OD2 3.25Å; H780-Q816 PolarHBondContact CE1-NE2 3.11Å
781	T	97.6	Very high	96.4	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162.1	173.2	-170.5	0	0	0	0	111.1	D751 L792 Q816 P817	D751-T781 WeakPolarHBondContact O-CA 3.3Å; D751-T781 PolarHBondContact OD2-OG1 2.89Å; T781-L792 HydrophobicContact CG2-CD2 3.75Å; T781-L792 HydrophobicContact CG2-CG 4.22Å; T781-Q816 WeakPolarHBondContact O-CG 3.44Å; T781-Q816 PolarHBondContact O-NE2 3.44Å; T781-P817 HydrophobicContact CG2-CG 3.87Å
782	H	96	Very high	96.5	Very high	6 Å²	6	24 Å²	24	3%	0.028	16%	0.158	C	C	.	.			trans	-106.5	152.5	170.8	-73.4	-107.2	0	0	0	109.8	D581 D751 M752 G754 H780 T784 T814 S815 Q816	D581-H782 IonicContact OD2-NE2 3.99Å; D751-H782 PolarHBondContact O-N 3.37Å; M752-H782 VanDerWaalsContact C-CD2 3.47Å; M752-H782 PolarHBondContact O-CD2 2.99Å; M752-H782 VanDerWaalsContact O-CD2 3.23Å; G754-H782 WeakPolarHBondContact CA-O 3.36Å; H780-H782 AromaticContact CE1-NE2 3.86Å; H780-H782 AromaticContact NE2-CD2 3.48Å; H780-H782 PolarHBondContact NE2-CD2 2.94Å; H780-H782 AromaticContact NE2-NE2 3.27Å; H780-H782 PolarHBondContact NE2-NE2 2.93Å; H782-T784 VanDerWaalsContact C-N 3.28Å; H782-T784 PolarHBondContact O-N 3.3Å; H782-T814 PolarHBondContact ND1-O 2.63Å; H782-S815 CarbonylContact C-O 3.57Å; H782-S815 WeakPolarHBondContact CA-O 3.34Å; H782-Q816 PolarHBondContact CE1-NE2 3.29Å; H782-Q816 PolarHBondContact NE2-NE2 2.84Å
783	D	95.9	Very high	96.5	Very high	22 Å²	22	23.4 Å²	23.4	12%	0.118	16%	0.158	C	C	.	.			trans	-93.6	25.4	-178.7	-161.4	29.7	0	0	0	112.7	A785 G786 A787 G788 L813 S815 P817	D783-A785 PolarHBondContact O-N 3.27Å; D783-A785 VanDerWaalsContact O-N 3.13Å; D783-G786 WeakPolarHBondContact O-CA 3.33Å; D783-G786 PolarHBondContact O-N 2.98Å; D783-G786 VanDerWaalsContact OD1-C 3.31Å; D783-G786 WeakPolarHBondContact OD1-CA 3.08Å; D783-A787 PolarHBondContact OD1-N 3.26Å; D783-G788 WeakPolarHBondContact OD1-CA 3.31Å; D783-G788 PolarHBondContact OD1-N 2.87Å; D783-L813 CarbonylContact C-O 3.5Å; D783-L813 VanDerWaalsContact O-O 3.11Å; D783-S815 PolarHBondContact N-O 3.1Å; D783-P817 HydrophobicContact CB-CG 4.32Å
784	T	92.7	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.5	-171.9	-45.4	0	0	0	0	112.5	A753 H782 L813 T814 G866 N867 V870	A753-T784 WeakPolarHBondContact O-CB 3.22Å; A753-T784 PolarHBondContact O-OG1 3.47Å; H782-T784 VanDerWaalsContact C-N 3.28Å; H782-T784 PolarHBondContact O-N 3.3Å; T784-L813 WeakPolarHBondContact CA-O 3.35Å; T784-L813 PolarHBondContact N-O 3.09Å; T784-T814 HydrophobicContact CG2-CG2 4.4Å; T784-G866 CarbonylContact O-C 3.55Å; T784-G866 VanDerWaalsContact O-C 3.29Å; T784-G866 WeakPolarHBondContact O-CA 3.49Å; T784-N867 PolarHBondContact O-N 3.01Å; T784-V870 HydrophobicContact CG2-CB 3.94Å; T784-V870 HydrophobicContact CG2-CG1 4.21Å; T784-V870 HydrophobicContact CG2-CG2 3.92Å
785	A	93	Very high	96.7	Very high	23 Å²	23	13.8 Å²	13.8	19%	0.19	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.5	178	0	0	0	0	0	114.3	D783 A787 V870 Y871	D783-A785 PolarHBondContact O-N 3.27Å; D783-A785 VanDerWaalsContact O-N 3.13Å; A785-A787 VanDerWaalsContact C-N 3.31Å; A785-V870 HydrophobicContact CB-CG1 3.84Å; A785-Y871 HydrophobicContact CB-CD2 4.36Å; A785-Y871 HydrophobicContact CB-CE2 3.46Å; A785-Y871 VanDerWaalsContact CB-CE2 3.46Å; A785-Y871 WeakPolarHBondContact CB-OH 3.31Å
786	G	93.6	Very high	96.7	Very high	57 Å²	57	13.1 Å²	13.1	59%	0.588	10%	0.1	S	C	*	.	S	Bend	trans	71.1	21.7	-172.4	0	0	0	0	0	114.4	D783	D783-G786 WeakPolarHBondContact O-CA 3.33Å; D783-G786 PolarHBondContact O-N 2.98Å; D783-G786 VanDerWaalsContact OD1-C 3.31Å; D783-G786 WeakPolarHBondContact OD1-CA 3.08Å
787	A	94.2	Very high	96.6	Very high	31 Å²	31	19.2 Å²	19.2	26%	0.256	13%	0.129	S	C	.	.			trans	-119.6	6.4	-177.5	0	0	0	0	0	113.3	D783 A785 A790 C791	D783-A787 PolarHBondContact OD1-N 3.26Å; A785-A787 VanDerWaalsContact C-N 3.31Å; A787-A790 PolarHBondContact O-N 3.24Å; A787-C791 PolarHBondContact O-N 3.19Å
788	G	95.8	Very high	96.5	Very high	4 Å²	4	19.9 Å²	19.9	4%	0.041	13%	0.134	C	C	.	.	H	α-helix	trans	-67.4	-41.3	-172.7	0	0	0	0	0	112.9	D783 A790 C791 L792	D783-G788 WeakPolarHBondContact OD1-CA 3.31Å; D783-G788 PolarHBondContact OD1-N 2.87Å; G788-A790 VanDerWaalsContact C-N 3.31Å; G788-A790 PolarHBondContact O-N 3.25Å; G788-C791 WeakPolarHBondContact O-CA 3.36Å; G788-C791 WeakPolarHBondContact O-CB 3.13Å; G788-C791 PolarHBondContact O-N 2.7Å; G788-C791 VanDerWaalsContact O-N 3.1Å; G788-L792 WeakPolarHBondContact O-CG 3.36Å; G788-L792 PolarHBondContact O-N 3.49Å
789	V	97.3	Very high	96.2	Very high	30 Å²	30	21.2 Å²	21.2	18%	0.182	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-43.8	174.4	177.4	0	0	0	0	110.8	C791 L792 L793 P817 A821	V789-C791 VanDerWaalsContact C-N 3.29Å; V789-C791 PolarHBondContact O-N 2.93Å; V789-L792 PolarHBondContact O-N 3.37Å; V789-L793 HydrophobicContact CG1-CD1 4.24Å; V789-L793 HydrophobicContact CG1-CG 4.46Å; V789-L793 WeakPolarHBondContact O-CG 3.38Å; V789-L793 PolarHBondContact O-N 2.94Å; V789-P817 HydrophobicContact CG2-CB 3.83Å; V789-A821 HydrophobicContact CG2-CB 4.23Å
790	A	97.5	Very high	96.2	Very high	50 Å²	50	21.5 Å²	21.5	41%	0.413	15%	0.149	S	C	.	.	H	α-helix	trans	-64.5	-34.4	177.1	0	0	0	0	0	112.4	P758 A787 G788 A794	P758-A790 HydrophobicContact CG-CB 4.05Å; A787-A790 PolarHBondContact O-N 3.24Å; G788-A790 VanDerWaalsContact C-N 3.31Å; G788-A790 PolarHBondContact O-N 3.25Å; A790-A794 WeakPolarHBondContact O-CB 3.47Å; A790-A794 PolarHBondContact O-N 2.96Å; A790-A794 VanDerWaalsContact O-N 3.13Å
791	C	97.5	Very high	96.2	Very high	2 Å²	2	22 Å²	22	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-46.4	172.4	179.1	0	0	0	0	111.4	L756 A787 G788 V789 L793 A794 A795	L756-C791 WeakPolarHBondContact O-CB 3.05Å; L756-C791 PolarHBondContact O-SG 3.28Å; A787-C791 PolarHBondContact O-N 3.19Å; G788-C791 WeakPolarHBondContact O-CA 3.36Å; G788-C791 WeakPolarHBondContact O-CB 3.13Å; G788-C791 PolarHBondContact O-N 2.7Å; G788-C791 VanDerWaalsContact O-N 3.1Å; V789-C791 VanDerWaalsContact C-N 3.29Å; V789-C791 PolarHBondContact O-N 2.93Å; C791-L793 PolarHBondContact O-N 2.97Å; C791-A794 PolarHBondContact O-N 2.99Å; C791-A795 WeakPolarHBondContact O-CB 3.39Å; C791-A795 PolarHBondContact O-N 3.16Å
792	L	98.1	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-39.1	178.7	-64.4	-170.6	0	0	0	112.7	L779 T781 G788 V789 A795 A796 V803 V805 P817 L822	L779-L792 HydrophobicContact CD2-CD2 3.81Å; L779-L792 HydrophobicContact CG-CD2 4.23Å; T781-L792 HydrophobicContact CG2-CD2 3.75Å; T781-L792 HydrophobicContact CG2-CG 4.22Å; G788-L792 WeakPolarHBondContact O-CG 3.36Å; G788-L792 PolarHBondContact O-N 3.49Å; V789-L792 PolarHBondContact O-N 3.37Å; L792-A795 WeakPolarHBondContact O-CB 3.33Å; L792-A795 PolarHBondContact O-N 3.12Å; L792-A796 WeakPolarHBondContact O-CB 3.25Å; L792-A796 PolarHBondContact O-N 2.84Å; L792-V803 HydrophobicContact CD1-CB 4.25Å; L792-V803 HydrophobicContact CD1-CG2 4.29Å; L792-V803 HydrophobicContact CD2-CB 3.96Å; L792-V803 HydrophobicContact CD2-CG1 3.86Å; L792-V805 HydrophobicContact CD1-CG1 3.79Å; L792-P817 HydrophobicContact CD1-CB 3.77Å; L792-P817 HydrophobicContact CD1-CG 3.74Å; L792-P817 HydrophobicContact CG-CB 4.47Å; L792-P817 HydrophobicContact CG-CG 4.11Å; L792-L822 HydrophobicContact CB-CD1 3.95Å; L792-L822 HydrophobicContact CD1-CD2 4.03Å
793	L	98	Very high	96.4	Very high	44 Å²	44	21.6 Å²	21.6	23%	0.23	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-45.8	173.8	-69	173.4	0	0	0	111.5	V789 C791 A795 A796 E797 L822 C825 L826	V789-L793 HydrophobicContact CG1-CD1 4.24Å; V789-L793 HydrophobicContact CG1-CG 4.46Å; V789-L793 WeakPolarHBondContact O-CG 3.38Å; V789-L793 PolarHBondContact O-N 2.94Å; C791-L793 PolarHBondContact O-N 2.97Å; L793-A795 VanDerWaalsContact C-N 3.27Å; L793-A795 PolarHBondContact O-N 3.24Å; L793-A796 PolarHBondContact O-N 3.22Å; L793-E797 WeakPolarHBondContact O-CG 3.1Å; L793-E797 PolarHBondContact O-N 3.31Å; L793-L822 HydrophobicContact CD2-CD1 3.88Å; L793-L822 HydrophobicContact CG-CD1 4.27Å; L793-C825 HydrophobicContact CD1-CB 4.22Å; L793-C825 HydrophobicContact CD2-CB 3.87Å; L793-L826 HydrophobicContact CD2-CD2 3.51Å; L793-L826 HydrophobicContact CD2-CG 3.82Å
794	A	97.5	Very high	96.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-33	175.6	0	0	0	0	0	112.6	P758 R762 A790 C791 S798	P758-A794 HydrophobicContact CB-CB 3.8Å; R762-A794 HydrophobicContact CG-CB 4.23Å; A790-A794 WeakPolarHBondContact O-CB 3.47Å; A790-A794 PolarHBondContact O-N 2.96Å; A790-A794 VanDerWaalsContact O-N 3.13Å; C791-A794 PolarHBondContact O-N 2.99Å; A794-S798 WeakPolarHBondContact O-CB 3.4Å; A794-S798 PolarHBondContact O-N 2.88Å; A794-S798 VanDerWaalsContact O-N 3.15Å; A794-S798 PolarHBondContact O-OG 3.28Å
795	A	97.5	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.6	-42.1	174.6	0	0	0	0	0	112	L765 L779 C791 L792 L793 E797 S798 G799 V800	L765-A795 HydrophobicContact CD1-CB 3.33Å; L779-A795 HydrophobicContact CD2-CB 3.41Å; L779-A795 VanDerWaalsContact CD2-CB 3.41Å; C791-A795 WeakPolarHBondContact O-CB 3.39Å; C791-A795 PolarHBondContact O-N 3.16Å; L792-A795 WeakPolarHBondContact O-CB 3.33Å; L792-A795 PolarHBondContact O-N 3.12Å; L793-A795 VanDerWaalsContact C-N 3.27Å; L793-A795 PolarHBondContact O-N 3.24Å; A795-E797 VanDerWaalsContact C-N 3.35Å; A795-S798 CarbonylContact O-C 3.47Å; A795-S798 WeakPolarHBondContact O-CA 3.39Å; A795-S798 PolarHBondContact O-N 3.49Å; A795-G799 PolarHBondContact O-N 3.03Å; A795-V800 HydrophobicContact CB-CB 4.21Å; A795-V800 HydrophobicContact CB-CG1 3.79Å; A795-V800 WeakPolarHBondContact O-CG1 3.45Å; A795-V800 PolarHBondContact O-N 2.68Å; A795-V800 VanDerWaalsContact O-N 3.1Å
796	A	96.6	Very high	97.1	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-44.1	173.9	0	0	0	0	0	111.5	L572 L792 L793 S798 G799 N831	L572-A796 HydrophobicContact CD1-CB 4.45Å; L572-A796 HydrophobicContact CD2-CB 4.02Å; L792-A796 WeakPolarHBondContact O-CB 3.25Å; L792-A796 PolarHBondContact O-N 2.84Å; L793-A796 PolarHBondContact O-N 3.22Å; A796-S798 PolarHBondContact O-N 2.78Å; A796-G799 PolarHBondContact O-N 3.21Å; A796-N831 HydrophobicContact CB-CB 4.27Å; A796-N831 PolarHBondContact O-ND2 2.86Å
797	E	95.5	Very high	97.3	Very high	129 Å²	129	16.8 Å²	16.8	60%	0.603	11%	0.107	S	C	*	.	H	α-helix	trans	-61	-26.4	172.3	-69.4	169.7	179	0	0	113.2	R762 L793 A795 G799	R762-E797 IonicContact CZ-OE2 2.67Å; R762-E797 IonicContact NE-OE2 3.29Å; R762-E797 PolarHBondContact NE-OE2 3.44Å; R762-E797 IonicContact NH2-OE2 2.86Å; R762-E797 PolarHBondContact NH2-OE2 2.88Å; L793-E797 WeakPolarHBondContact O-CG 3.1Å; L793-E797 PolarHBondContact O-N 3.31Å; A795-E797 VanDerWaalsContact C-N 3.35Å; E797-G799 VanDerWaalsContact C-N 3.35Å
798	S	96.1	Very high	97.4	Very high	14 Å²	14	18.1 Å²	18.1	10%	0.098	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	9	-179.3	-50.9	0	0	0	0	113.3	R762 A794 A795 A796	R762-S798 WeakPolarHBondContact CA-OG 3.4Å; R762-S798 WeakPolarHBondContact CG-OG 3.49Å; A794-S798 WeakPolarHBondContact O-CB 3.4Å; A794-S798 PolarHBondContact O-N 2.88Å; A794-S798 VanDerWaalsContact O-N 3.15Å; A794-S798 PolarHBondContact O-OG 3.28Å; A795-S798 CarbonylContact O-C 3.47Å; A795-S798 WeakPolarHBondContact O-CA 3.39Å; A795-S798 PolarHBondContact O-N 3.49Å; A796-S798 PolarHBondContact O-N 2.78Å
799	G	94	Very high	97.5	Very high	28 Å²	28	18.2 Å²	18.2	29%	0.289	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	31.9	175.5	0	0	0	0	0	114.8	R769 A795 A796 E797	R769-G799 PolarHBondContact NE-O 2.8Å; R769-G799 PolarHBondContact NH2-O 3.3Å; A795-G799 PolarHBondContact O-N 3.03Å; A796-G799 PolarHBondContact O-N 3.21Å; E797-G799 VanDerWaalsContact C-N 3.35Å
800	V	97.6	Very high	97.5	Very high	6 Å²	6	16.8 Å²	16.8	4%	0.036	10%	0.101	C	C	.	.			trans	-66	141.6	162.9	77.6	0	0	0	0	109.7	L572 L765 I777 L779 A795 I802 V803	L572-V800 HydrophobicContact CD1-CG1 3.75Å; L765-V800 HydrophobicContact CD1-CB 4.36Å; I777-V800 HydrophobicContact CB-CG2 4.22Å; I777-V800 HydrophobicContact CG2-CG2 4.1Å; I777-V800 VanDerWaalsContact O-CG2 3.31Å; I777-V800 WeakPolarHBondContact O-CG2 3.5Å; L779-V800 HydrophobicContact CB-CG2 3.83Å; A795-V800 HydrophobicContact CB-CB 4.21Å; A795-V800 HydrophobicContact CB-CG1 3.79Å; A795-V800 WeakPolarHBondContact O-CG1 3.45Å; A795-V800 PolarHBondContact O-N 2.68Å; A795-V800 VanDerWaalsContact O-N 3.1Å; V800-I802 WeakPolarHBondContact CG2-O 3.43Å; V800-V803 HydrophobicContact CG1-CG1 3.76Å; V800-V803 HydrophobicContact CG2-CG1 4.45Å
801	D	98.4	Very high	97.5	Very high	10 Å²	10	15.2 Å²	15.2	5%	0.053	9%	0.088	C	C	.	.			trans	-93.4	-35.2	-177.3	-49.1	-90.2	0	0	0	111.8	I566 R567 L573 R769 P776 I777	I566-D801 HydrophobicContact CG2-CB 3.86Å; R567-D801 IonicContact CZ-OD1 2.78Å; R567-D801 IonicContact NH1-OD1 3.55Å; R567-D801 PolarHBondContact NH1-OD1 3.35Å; L573-D801 WeakPolarHBondContact CB-O 3.31Å; L573-D801 PolarHBondContact N-O 2.83Å; R769-D801 IonicContact CZ-OD2 3.19Å; R769-D801 VanDerWaalsContact NH2-CG 3.32Å; R769-D801 IonicContact NH2-OD1 3.82Å; R769-D801 PolarHBondContact NH2-OD1 3.03Å; R769-D801 IonicContact NH2-OD2 2.69Å; R769-D801 PolarHBondContact NH2-OD2 3.05Å; P776-D801 WeakPolarHBondContact CA-OD2 3.27Å; I777-D801 PolarHBondContact N-OD2 2.93Å; I777-D801 PolarHBondContact O-N 3.1Å; I777-D801 VanDerWaalsContact O-N 3.09Å
802	I	98.6	Very high	97.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.5	-176.4	-47.6	151.7	0	0	0	110.4	I566 L573 F611 I746 I777 H778 L779 V800	I566-I802 HydrophobicContact CD1-CD1 4.26Å; I566-I802 HydrophobicContact CG2-CD1 3.86Å; I566-I802 HydrophobicContact CG2-CG1 4Å; L573-I802 HydrophobicContact CB-CB 4.26Å; L573-I802 HydrophobicContact CB-CG1 3.84Å; L573-I802 HydrophobicContact CB-CG2 4.15Å; L573-I802 HydrophobicContact CD1-CG1 4.18Å; L573-I802 WeakPolarHBondContact O-CA 3.47Å; F611-I802 HydrophobicContact CB-CG2 4.49Å; F611-I802 HydrophobicContact CD1-CD1 4.04Å; F611-I802 HydrophobicContact CD1-CG1 4.25Å; F611-I802 HydrophobicContact CD1-CG2 3.54Å; F611-I802 HydrophobicContact CD2-CD1 4.35Å; F611-I802 HydrophobicContact CE1-CD1 3.57Å; F611-I802 HydrophobicContact CE1-CG1 4.28Å; F611-I802 HydrophobicContact CE1-CG2 4.01Å; F611-I802 HydrophobicContact CE2-CD1 3.91Å; F611-I802 HydrophobicContact CG-CD1 4.4Å; F611-I802 HydrophobicContact CG-CG1 4.38Å; F611-I802 HydrophobicContact CG-CG2 4.11Å; F611-I802 HydrophobicContact CZ-CD1 3.49Å; F611-I802 VanDerWaalsContact CZ-CD1 3.49Å; F611-I802 HydrophobicContact CZ-CG1 4.43Å; I746-I802 HydrophobicContact CD1-CD1 4.3Å; I746-I802 HydrophobicContact CG2-CD1 4.33Å; I777-I802 PolarHBondContact O-N 2.75Å; I777-I802 VanDerWaalsContact O-N 3.1Å; H778-I802 WeakPolarHBondContact CA-O 3.45Å; H778-I802 HydrophobicContact CB-CB 4.22Å; H778-I802 HydrophobicContact CB-CD1 4.28Å; H778-I802 VanDerWaalsContact CD2-CG2 3.43Å; H778-I802 WeakPolarHBondContact CD2-CG2 3.39Å; H778-I802 PolarHBondContact CD2-O 2.76Å; H778-I802 WeakPolarHBondContact NE2-CG2 3.41Å; L779-I802 PolarHBondContact N-O 3.21Å; V800-I802 WeakPolarHBondContact CG2-O 3.43Å
803	V	98.6	Very high	97.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.8	171.2	-61.9	0	0	0	0	112.8	L572 L573 I574 T575 L779 L792 V800 V805 L822	L572-V803 HydrophobicContact CD1-CG1 4.15Å; L572-V803 HydrophobicContact CD1-CG2 4.45Å; L572-V803 HydrophobicContact CD2-CG1 4.42Å; L572-V803 HydrophobicContact CD2-CG2 3.78Å; L572-V803 HydrophobicContact CG-CG2 4.16Å; L573-V803 PolarHBondContact O-N 2.84Å; I574-V803 HydrophobicContact CD1-CG2 3.63Å; T575-V803 PolarHBondContact N-O 3.49Å; L779-V803 HydrophobicContact CB-CG1 4.35Å; L779-V803 WeakPolarHBondContact O-CA 3.2Å; L792-V803 HydrophobicContact CD1-CB 4.25Å; L792-V803 HydrophobicContact CD1-CG2 4.29Å; L792-V803 HydrophobicContact CD2-CB 3.96Å; L792-V803 HydrophobicContact CD2-CG1 3.86Å; V800-V803 HydrophobicContact CG1-CG1 3.76Å; V800-V803 HydrophobicContact CG2-CG1 4.45Å; V803-V805 HydrophobicContact CG2-CG1 4.44Å; V803-L822 HydrophobicContact CG2-CD2 3.6Å
804	D	98.7	Very high	96.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.5	170.9	-83	16.5	0	0	0	111.5	T575 T577 R684 H778 L779 H780 Q816	T575-D804 VanDerWaalsContact CB-OD1 3.22Å; T575-D804 WeakPolarHBondContact CB-OD1 3.41Å; T575-D804 WeakPolarHBondContact CG2-OD1 3.36Å; T577-D804 HydrophobicContact CG2-CB 3.72Å; T577-D804 WeakPolarHBondContact CG2-OD2 3.45Å; R684-D804 IonicContact CZ-OD1 2.7Å; R684-D804 IonicContact CZ-OD2 2.7Å; R684-D804 IonicContact NH1-OD1 3.65Å; R684-D804 IonicContact NH1-OD2 2.92Å; R684-D804 PolarHBondContact NH1-OD2 3.05Å; R684-D804 VanDerWaalsContact NH2-CG 3.34Å; R684-D804 IonicContact NH2-OD1 2.56Å; R684-D804 PolarHBondContact NH2-OD1 3.05Å; R684-D804 IonicContact NH2-OD2 3.61Å; R684-D804 PolarHBondContact NH2-OD2 3.46Å; H778-D804 IonicContact CD2-OD1 3.9Å; H778-D804 IonicContact CE1-OD1 2.72Å; H778-D804 IonicContact NE2-OD1 3.73Å; H778-D804 PolarHBondContact NE2-OD1 3.4Å; L779-D804 PolarHBondContact O-N 2.66Å; H780-D804 HydrophobicContact CB-CB 4.34Å; H780-D804 IonicContact CE1-OD2 2.76Å; H780-D804 IonicContact CG-OD2 2.96Å; H780-D804 IonicContact ND1-OD2 3.46Å; H780-D804 PolarHBondContact ND1-OD2 3.25Å; D804-Q816 HydrophobicContact CB-CG 4.18Å
805	V	98.7	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	160.7	173.1	-61.1	0	0	0	0	110.2	I574 T575 T577 L792 V803 P817 M819 L822	I574-V805 HydrophobicContact CD1-CG2 4.48Å; I574-V805 HydrophobicContact CG2-CG2 3.4Å; I574-V805 VanDerWaalsContact CG2-CG2 3.4Å; T575-V805 PolarHBondContact O-N 3.42Å; T577-V805 PolarHBondContact N-O 3.22Å; T577-V805 PolarHBondContact OG1-O 3.44Å; L792-V805 HydrophobicContact CD1-CG1 3.79Å; V803-V805 HydrophobicContact CG2-CG1 4.44Å; V805-P817 WeakPolarHBondContact CB-O 3.24Å; V805-M819 HydrophobicContact CB-CB 4.07Å; V805-M819 HydrophobicContact CG2-CB 3.6Å; V805-M819 HydrophobicContact CG2-CE 3.73Å; V805-M819 HydrophobicContact CG2-CG 3.72Å; V805-L822 HydrophobicContact CG1-CD2 3.66Å
806	A	98.5	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-114.1	151.6	167.3	0	0	0	0	0	109.7	A582 M810 Q816 P817 M819	A582-A806 HydrophobicContact CB-CB 3.86Å; A806-M810 WeakPolarHBondContact CB-O 3.23Å; A806-Q816 HydrophobicContact CB-CB 4.02Å; A806-P817 PolarHBondContact N-O 3.19Å; A806-P817 VanDerWaalsContact N-O 3.11Å; A806-M819 VanDerWaalsContact O-CB 3.32Å; A806-M819 WeakPolarHBondContact O-CB 3.43Å; A806-M819 PolarHBondContact O-N 2.93Å
807	V	98.1	Very high	96.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.			trans	-59.4	148.2	173.4	75.5	0	0	0	0	110.4	T578 S809 M810 S811 Y843 S844 W847	T578-V807 HydrophobicContact CG2-CG1 3.73Å; T578-V807 PolarHBondContact OG1-N 3.29Å; V807-S809 VanDerWaalsContact C-N 3.35Å; V807-S809 PolarHBondContact O-N 3.02Å; V807-S809 VanDerWaalsContact O-N 3.15Å; V807-M810 HydrophobicContact CG1-CB 3.98Å; V807-M810 HydrophobicContact CG1-CG 4.19Å; V807-M810 CarbonylContact O-C 3.44Å; V807-M810 VanDerWaalsContact O-C 3.32Å; V807-M810 WeakPolarHBondContact O-CA 3.42Å; V807-M810 PolarHBondContact O-N 3.35Å; V807-S811 WeakPolarHBondContact O-CB 3.42Å; V807-S811 PolarHBondContact O-N 3.17Å; V807-Y843 HydrophobicContact CB-CD1 3.77Å; V807-Y843 HydrophobicContact CB-CE1 3.78Å; V807-Y843 HydrophobicContact CG1-CD1 4.45Å; V807-Y843 HydrophobicContact CG1-CE1 4.25Å; V807-Y843 HydrophobicContact CG2-CD1 3.49Å; V807-Y843 VanDerWaalsContact CG2-CD1 3.49Å; V807-Y843 HydrophobicContact CG2-CE1 4.04Å; V807-Y843 HydrophobicContact CG2-CG 4.04Å; V807-S844 VanDerWaalsContact CG2-CA 3.45Å; V807-W847 HydrophobicContact CG1-CB 3.99Å; V807-W847 HydrophobicContact CG1-CG 3.93Å
808	D	97.8	Very high	96.9	Very high	59 Å²	59	9.6 Å²	9.6	32%	0.316	7%	0.066	S	C	.	.	G	3₁₀ helix	trans	-49.9	-49.8	-164.4	-57.2	-12.6	0	0	0	113.7	M810 S811 S818 G820	D808-M810 PolarHBondContact O-N 3.2Å; D808-M810 VanDerWaalsContact O-N 3.09Å; D808-S811 WeakPolarHBondContact CA-OG 3.04Å; D808-S811 PolarHBondContact O-N 2.79Å; D808-S811 PolarHBondContact O-OG 2.98Å; D808-S818 PolarHBondContact OD1-OG 2.8Å; D808-G820 VanDerWaalsContact OD1-CA 3.26Å; D808-G820 WeakPolarHBondContact OD1-CA 3.48Å; D808-G820 PolarHBondContact OD1-N 3.47Å
809	S	97	Very high	97	Very high	6 Å²	6	9 Å²	9	4%	0.042	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-64.3	-12.1	178.6	57.6	0	0	0	0	115.1	V807 S844 W847 E848 R851	V807-S809 VanDerWaalsContact C-N 3.35Å; V807-S809 PolarHBondContact O-N 3.02Å; V807-S809 VanDerWaalsContact O-N 3.15Å; S809-S844 WeakPolarHBondContact CB-OG 3.38Å; S809-S844 PolarHBondContact N-OG 3.49Å; S809-S844 PolarHBondContact OG-O 3.26Å; S809-S844 PolarHBondContact OG-OG 3.26Å; S809-W847 WeakPolarHBondContact OG-CB 3.28Å; S809-E848 WeakPolarHBondContact CB-OE2 3.33Å; S809-E848 PolarHBondContact OG-N 2.99Å; S809-R851 WeakPolarHBondContact O-CD 3.42Å; S809-R851 PolarHBondContact O-NH1 3.46Å
810	M	97.3	Very high	97.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-121.9	13.4	177.7	-67.5	-66.9	-65.5	0	0	112.1	T578 A582 H583 L586 L587 A806 V807 D808 S815 W847 R851	T578-M810 HydrophobicContact CG2-CB 3.95Å; T578-M810 HydrophobicContact CG2-CG 3.91Å; A582-M810 HydrophobicContact CB-CB 4.22Å; A582-M810 HydrophobicContact CB-CE 4.41Å; A582-M810 WeakPolarHBondContact CB-O 3.49Å; H583-M810 HydrophobicContact CB-CE 3.74Å; L586-M810 WeakPolarHBondContact CD1-O 3.43Å; L587-M810 HydrophobicContact CD1-CE 3.74Å; L587-M810 HydrophobicContact CD1-SD 4.24Å; L587-M810 HydrophobicContact CG-CE 4.4Å; A806-M810 WeakPolarHBondContact CB-O 3.23Å; V807-M810 HydrophobicContact CG1-CB 3.98Å; V807-M810 HydrophobicContact CG1-CG 4.19Å; V807-M810 CarbonylContact O-C 3.44Å; V807-M810 VanDerWaalsContact O-C 3.32Å; V807-M810 WeakPolarHBondContact O-CA 3.42Å; V807-M810 PolarHBondContact O-N 3.35Å; D808-M810 PolarHBondContact O-N 3.2Å; D808-M810 VanDerWaalsContact O-N 3.09Å; M810-S815 WeakPolarHBondContact O-CB 3.48Å; M810-S815 PolarHBondContact O-OG 2.88Å; M810-W847 HydrophobicContact CG-CB 3.92Å; M810-W847 HydrophobicContact CG-CD2 4.17Å; M810-W847 HydrophobicContact CG-CE3 4.11Å; M810-W847 HydrophobicContact CG-CG 4.12Å; M810-W847 HydrophobicContact SD-CE3 4.31Å; M810-R851 HydrophobicContact SD-CB 4.09Å; M810-R851 HydrophobicContact SD-CG 4.09Å
811	S	96.8	Very high	97.1	Very high	18 Å²	18	9.8 Å²	9.8	13%	0.126	7%	0.067	C	C	.	.			trans	-105.4	176.9	-179	75.2	0	0	0	0	112.2	V807 D808 Q816 S818	V807-S811 WeakPolarHBondContact O-CB 3.42Å; V807-S811 PolarHBondContact O-N 3.17Å; D808-S811 WeakPolarHBondContact CA-OG 3.04Å; D808-S811 PolarHBondContact O-N 2.79Å; D808-S811 PolarHBondContact O-OG 2.98Å; S811-Q816 WeakPolarHBondContact CA-O 3.22Å; S811-Q816 WeakPolarHBondContact CB-O 3.37Å; S811-S818 WeakPolarHBondContact OG-CA 3.49Å; S811-S818 WeakPolarHBondContact OG-CB 3.46Å
812	G	94.2	Very high	97.1	Very high	13 Å²	13	9.3 Å²	9.3	13%	0.134	7%	0.065	C	C	.	.	S	Bend	trans	73	-177.4	176.3	0	0	0	0	0	113.5	T814 S815 Q816	G812-T814 PolarHBondContact O-N 3.15Å; G812-S815 WeakPolarHBondContact O-CA 3.18Å; G812-S815 WeakPolarHBondContact O-CB 3.38Å; G812-S815 PolarHBondContact O-N 2.9Å; G812-Q816 PolarHBondContact N-O 3.28Å
813	L	92.7	Very high	97	Very high	29 Å²	29	9.4 Å²	9.4	15%	0.152	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-128.3	-172.6	-53.7	172.3	0	0	0	109.6	L586 D783 T784 S815 T860	L586-L813 HydrophobicContact CD2-CB 4.06Å; L586-L813 HydrophobicContact CD2-CD1 4.16Å; D783-L813 CarbonylContact C-O 3.5Å; D783-L813 VanDerWaalsContact O-O 3.11Å; T784-L813 WeakPolarHBondContact CA-O 3.35Å; T784-L813 PolarHBondContact N-O 3.09Å; L813-S815 PolarHBondContact O-N 3Å; L813-T860 HydrophobicContact CD1-CG2 3.45Å; L813-T860 VanDerWaalsContact CD1-CG2 3.45Å
814	T	92.6	Very high	97	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.6	177	55.3	0	0	0	0	113.5	S585 H782 T784 G812 M863 Y880	S585-T814 WeakPolarHBondContact CB-O 3.38Å; S585-T814 PolarHBondContact O-OG1 2.94Å; S585-T814 PolarHBondContact OG-O 3.19Å; H782-T814 PolarHBondContact ND1-O 2.63Å; T784-T814 HydrophobicContact CG2-CG2 4.4Å; G812-T814 PolarHBondContact O-N 3.15Å; T814-M863 HydrophobicContact CG2-CE 4.27Å; T814-M863 HydrophobicContact CG2-SD 3.97Å; T814-Y880 HydrophobicContact CG2-CD1 4.41Å; T814-Y880 HydrophobicContact CG2-CG 4.43Å
815	S	95.1	Very high	96.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-84.1	-175.2	176.8	-162.6	0	0	0	0	112.2	A582 H782 D783 M810 G812 L813	A582-S815 VanDerWaalsContact CA-OG 3.29Å; A582-S815 WeakPolarHBondContact CA-OG 3.38Å; A582-S815 WeakPolarHBondContact CB-OG 3.12Å; H782-S815 CarbonylContact C-O 3.57Å; H782-S815 WeakPolarHBondContact CA-O 3.34Å; D783-S815 PolarHBondContact N-O 3.1Å; M810-S815 WeakPolarHBondContact O-CB 3.48Å; M810-S815 PolarHBondContact O-OG 2.88Å; G812-S815 WeakPolarHBondContact O-CA 3.18Å; G812-S815 WeakPolarHBondContact O-CB 3.38Å; G812-S815 PolarHBondContact O-N 2.9Å; L813-S815 PolarHBondContact O-N 3Å
816	Q	97.1	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-69	162.1	170.4	-82.8	60	57.3	0	0	111.9	T577 H780 T781 H782 D804 A806 S811 G812	T577-Q816 HydrophobicContact CG2-CG 4.06Å; T577-Q816 WeakPolarHBondContact OG1-CG 3.43Å; T577-Q816 PolarHBondContact OG1-OE1 3.11Å; H780-Q816 PolarHBondContact CE1-NE2 3.11Å; T781-Q816 WeakPolarHBondContact O-CG 3.44Å; T781-Q816 PolarHBondContact O-NE2 3.44Å; H782-Q816 PolarHBondContact CE1-NE2 3.29Å; H782-Q816 PolarHBondContact NE2-NE2 2.84Å; D804-Q816 HydrophobicContact CB-CG 4.18Å; A806-Q816 HydrophobicContact CB-CB 4.02Å; S811-Q816 WeakPolarHBondContact CA-O 3.22Å; S811-Q816 WeakPolarHBondContact CB-O 3.37Å; G812-Q816 PolarHBondContact N-O 3.28Å
817	P	97.8	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-56.2	153.9	169.2	-25.3	37.2	0	0	0	113	T781 D783 V789 L792 V805 A806 M819	T781-P817 HydrophobicContact CG2-CG 3.87Å; D783-P817 HydrophobicContact CB-CG 4.32Å; V789-P817 HydrophobicContact CG2-CB 3.83Å; L792-P817 HydrophobicContact CD1-CB 3.77Å; L792-P817 HydrophobicContact CD1-CG 3.74Å; L792-P817 HydrophobicContact CG-CB 4.47Å; L792-P817 HydrophobicContact CG-CG 4.11Å; V805-P817 WeakPolarHBondContact CB-O 3.24Å; A806-P817 PolarHBondContact N-O 3.19Å; A806-P817 VanDerWaalsContact N-O 3.11Å; P817-M819 PolarHBondContact O-N 3.33Å
818	S	98.3	Very high	96.4	Very high	19 Å²	19	28.5 Å²	28.5	13%	0.133	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-66.2	125.7	-179	159.3	0	0	0	0	112.3	D808 S811 G820 A821 L822	D808-S818 PolarHBondContact OD1-OG 2.8Å; S811-S818 WeakPolarHBondContact OG-CA 3.49Å; S811-S818 WeakPolarHBondContact OG-CB 3.46Å; S818-G820 PolarHBondContact OG-N 3.03Å; S818-A821 WeakPolarHBondContact OG-CB 3.5Å; S818-A821 PolarHBondContact OG-N 2.87Å; S818-L822 PolarHBondContact O-N 2.91Å; S818-L822 VanDerWaalsContact O-N 3.1Å
819	M	98.4	Very high	96.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-51	172.9	-176.6	-176.1	-68	0	0	111.2	I574 D576 M607 L610 V805 A806 P817 A821 L822 V823 V840	I574-M819 HydrophobicContact CG2-CE 4.37Å; D576-M819 HydrophobicContact CB-CE 3.85Å; M607-M819 HydrophobicContact CE-SD 3.95Å; L610-M819 HydrophobicContact CD2-CE 4.39Å; V805-M819 HydrophobicContact CB-CB 4.07Å; V805-M819 HydrophobicContact CG2-CB 3.6Å; V805-M819 HydrophobicContact CG2-CE 3.73Å; V805-M819 HydrophobicContact CG2-CG 3.72Å; A806-M819 VanDerWaalsContact O-CB 3.32Å; A806-M819 WeakPolarHBondContact O-CB 3.43Å; A806-M819 PolarHBondContact O-N 2.93Å; P817-M819 PolarHBondContact O-N 3.33Å; M819-A821 PolarHBondContact O-N 3.07Å; M819-L822 PolarHBondContact O-N 3.13Å; M819-V823 HydrophobicContact CG-CG2 4.22Å; M819-V823 WeakPolarHBondContact O-CB 3.37Å; M819-V823 WeakPolarHBondContact O-CG2 3.2Å; M819-V823 PolarHBondContact O-N 3.42Å; M819-V840 HydrophobicContact CB-CG1 4.34Å; M819-V840 HydrophobicContact CG-CG1 4.01Å; M819-V840 HydrophobicContact CG-CG2 4.27Å; M819-V840 HydrophobicContact SD-CG1 3.96Å; M819-V840 HydrophobicContact SD-CG2 3.89Å
820	G	97.9	Very high	96.1	Very high	15 Å²	15	35.5 Å²	35.5	16%	0.155	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-40.8	-178.9	0	0	0	0	0	112.5	D808 S818 A824	D808-G820 VanDerWaalsContact OD1-CA 3.26Å; D808-G820 WeakPolarHBondContact OD1-CA 3.48Å; D808-G820 PolarHBondContact OD1-N 3.47Å; S818-G820 PolarHBondContact OG-N 3.03Å; G820-A824 WeakPolarHBondContact O-CB 3.46Å; G820-A824 PolarHBondContact O-N 2.97Å
821	A	97.6	Very high	96	Very high	36 Å²	36	37.6 Å²	37.6	30%	0.298	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-47.8	174.8	0	0	0	0	0	111.7	V789 S818 M819 A824 C825	V789-A821 HydrophobicContact CG2-CB 4.23Å; S818-A821 WeakPolarHBondContact OG-CB 3.5Å; S818-A821 PolarHBondContact OG-N 2.87Å; M819-A821 PolarHBondContact O-N 3.07Å; A821-A824 PolarHBondContact O-N 2.85Å; A821-C825 WeakPolarHBondContact O-CB 3.37Å; A821-C825 PolarHBondContact O-N 2.82Å; A821-C825 PolarHBondContact O-SG 3.11Å
822	L	97.8	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-48.3	179.5	-174.4	70.1	0	0	0	111.8	L572 I574 L792 L793 V803 V805 S818 M819 A824 C825 L826	L572-L822 HydrophobicContact CD2-CD2 4.24Å; I574-L822 HydrophobicContact CD1-CD2 3.71Å; L792-L822 HydrophobicContact CB-CD1 3.95Å; L792-L822 HydrophobicContact CD1-CD2 4.03Å; L793-L822 HydrophobicContact CD2-CD1 3.88Å; L793-L822 HydrophobicContact CG-CD1 4.27Å; V803-L822 HydrophobicContact CG2-CD2 3.6Å; V805-L822 HydrophobicContact CG1-CD2 3.66Å; S818-L822 PolarHBondContact O-N 2.91Å; S818-L822 VanDerWaalsContact O-N 3.1Å; M819-L822 PolarHBondContact O-N 3.13Å; L822-A824 VanDerWaalsContact C-N 3.3Å; L822-A824 PolarHBondContact O-N 3.45Å; L822-C825 PolarHBondContact O-N 2.94Å; L822-L826 HydrophobicContact CD1-CD1 3.79Å; L822-L826 HydrophobicContact CD1-CG 4.26Å; L822-L826 HydrophobicContact CG-CD1 3.88Å; L822-L826 WeakPolarHBondContact O-CG 3.34Å; L822-L826 PolarHBondContact O-N 2.89Å
823	V	97.2	Very high	96.1	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-43.9	177.8	170.9	0	0	0	0	110.5	M819 K827 T833 L835	M819-V823 HydrophobicContact CG-CG2 4.22Å; M819-V823 WeakPolarHBondContact O-CB 3.37Å; M819-V823 WeakPolarHBondContact O-CG2 3.2Å; M819-V823 PolarHBondContact O-N 3.42Å; V823-K827 PolarHBondContact O-N 3.16Å; V823-K827 VanDerWaalsContact O-N 3.16Å; V823-T833 HydrophobicContact CG2-CG2 4.42Å; V823-L835 HydrophobicContact CG1-CB 4.25Å; V823-L835 WeakPolarHBondContact CG1-O 3.28Å; V823-L835 HydrophobicContact CG2-CB 4.08Å; V823-L835 HydrophobicContact CG2-CD1 4.06Å
824	A	97.3	Very high	96.1	Very high	59 Å²	59	39 Å²	39	49%	0.488	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-40.7	178.3	0	0	0	0	0	112.7	G820 A821 L822	G820-A824 WeakPolarHBondContact O-CB 3.46Å; G820-A824 PolarHBondContact O-N 2.97Å; A821-A824 PolarHBondContact O-N 2.85Å; L822-A824 VanDerWaalsContact C-N 3.3Å; L822-A824 PolarHBondContact O-N 3.45Å
825	C	97	Very high	96.2	Very high	73 Å²	73	39.6 Å²	39.6	49%	0.493	24%	0.237	S	C	.	.	H	α-helix	trans	-69	-32.5	179.5	-75	0	0	0	0	113.5	L793 A821 L822	L793-C825 HydrophobicContact CD1-CB 4.22Å; L793-C825 HydrophobicContact CD2-CB 3.87Å; A821-C825 WeakPolarHBondContact O-CB 3.37Å; A821-C825 PolarHBondContact O-N 2.82Å; A821-C825 PolarHBondContact O-SG 3.11Å; L822-C825 PolarHBondContact O-N 2.94Å
826	L	96.7	Very high	96.2	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-91.7	-8.6	-178.6	-66.8	178	0	0	0	113.8	L572 L793 L822 H828 T829 N831 D832 T833	L572-L826 HydrophobicContact CB-CD1 4.41Å; L572-L826 HydrophobicContact CD2-CD1 3.36Å; L793-L826 HydrophobicContact CD2-CD2 3.51Å; L793-L826 HydrophobicContact CD2-CG 3.82Å; L822-L826 HydrophobicContact CD1-CD1 3.79Å; L822-L826 HydrophobicContact CD1-CG 4.26Å; L822-L826 HydrophobicContact CG-CD1 3.88Å; L822-L826 WeakPolarHBondContact O-CG 3.34Å; L822-L826 PolarHBondContact O-N 2.89Å; L826-H828 PolarHBondContact O-N 2.93Å; L826-T829 WeakPolarHBondContact O-CB 3.48Å; L826-T829 WeakPolarHBondContact O-CG2 3.35Å; L826-T829 PolarHBondContact O-N 3.2Å; L826-T829 PolarHBondContact O-OG1 3.29Å; L826-N831 HydrophobicContact CD2-CB 4Å; L826-D832 WeakPolarHBondContact O-CA 3.08Å; L826-T833 HydrophobicContact CD1-CG2 4.13Å
827	K	95.3	Very high	96.1	Very high	99 Å²	99	44.1 Å²	44.1	43%	0.43	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	132.4	178.9	-164.4	178.3	-176.4	168.8	0	110.7	V823 T829 D832	V823-K827 PolarHBondContact O-N 3.16Å; V823-K827 VanDerWaalsContact O-N 3.16Å; K827-T829 PolarHBondContact O-N 3.49Å; K827-D832 WeakPolarHBondContact CA-OD2 3.41Å
828	H	93.7	Very high	96	Very high	162 Å²	162	51.2 Å²	51.2	75%	0.75	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	21.9	-177	-46.5	-57.6	0	0	0	114.8	L826 D832	L826-H828 PolarHBondContact O-N 2.93Å; H828-D832 PolarHBondContact N-OD2 2.81Å
829	T	95.3	Very high	95.9	Very high	60 Å²	60	52 Å²	52	37%	0.368	31%	0.305	S	S	.	.	S	Bend	trans	-106.8	169.5	167.2	75.7	0	0	0	0	110	L826 K827 N831 D832	L826-T829 WeakPolarHBondContact O-CB 3.48Å; L826-T829 WeakPolarHBondContact O-CG2 3.35Å; L826-T829 PolarHBondContact O-N 3.2Å; L826-T829 PolarHBondContact O-OG1 3.29Å; K827-T829 PolarHBondContact O-N 3.49Å; T829-N831 PolarHBondContact O-N 2.74Å; T829-N831 PolarHBondContact OG1-N 2.78Å; T829-D832 WeakPolarHBondContact O-CB 3.44Å; T829-D832 PolarHBondContact O-N 2.88Å; T829-D832 VanDerWaalsContact O-N 3.1Å
830	D	92.6	Very high	95.8	Very high	151 Å²	151	52 Å²	52	81%	0.807	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.8	173.9	-64.5	-27.4	0	0	0	112
831	N	94.7	Very high	95.8	Very high	44 Å²	44	54.8 Å²	54.8	24%	0.235	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	21.1	178.8	-68.4	-38.9	0	0	0	113.2	L572 A796 L826 T829 T833	L572-N831 HydrophobicContact CB-CB 4.46Å; L572-N831 WeakPolarHBondContact CB-O 3.3Å; A796-N831 HydrophobicContact CB-CB 4.27Å; A796-N831 PolarHBondContact O-ND2 2.86Å; L826-N831 HydrophobicContact CD2-CB 4Å; T829-N831 PolarHBondContact O-N 2.74Å; T829-N831 PolarHBondContact OG1-N 2.78Å; N831-T833 PolarHBondContact O-N 3.42Å
832	D	96.5	Very high	95.8	Very high	34 Å²	34	55.5 Å²	55.5	18%	0.182	32%	0.323	C	S	.	.			trans	-50.7	140.8	173.5	-162	-41.8	0	0	0	110.1	H571 L572 L826 K827 H828 T829 G834	H571-D832 WeakPolarHBondContact CB-O 3.45Å; H571-D832 VanDerWaalsContact CG-O 3.26Å; H571-D832 PolarHBondContact ND1-O 2.77Å; L572-D832 PolarHBondContact N-O 3.29Å; L826-D832 WeakPolarHBondContact O-CA 3.08Å; K827-D832 WeakPolarHBondContact CA-OD2 3.41Å; H828-D832 PolarHBondContact N-OD2 2.81Å; T829-D832 WeakPolarHBondContact O-CB 3.44Å; T829-D832 PolarHBondContact O-N 2.88Å; T829-D832 VanDerWaalsContact O-N 3.1Å; D832-G834 PolarHBondContact OD1-N 2.87Å
833	T	95.9	Very high	95.7	Very high	11 Å²	11	55.5 Å²	55.5	7%	0.067	32%	0.323	C	S	.	.			trans	-88.6	-14.3	-175.9	62.2	0	0	0	0	112.9	L572 I574 V823 L826 N831 L835	L572-T833 HydrophobicContact CB-CG2 4.44Å; L572-T833 WeakPolarHBondContact O-CA 3.4Å; I574-T833 HydrophobicContact CD1-CG2 3.91Å; I574-T833 HydrophobicContact CG1-CG2 3.87Å; V823-T833 HydrophobicContact CG2-CG2 4.42Å; L826-T833 HydrophobicContact CD1-CG2 4.13Å; N831-T833 PolarHBondContact O-N 3.42Å; T833-L835 PolarHBondContact O-N 3.09Å; T833-L835 PolarHBondContact OG1-N 3.22Å
834	G	93.8	Very high	95.8	Very high	44 Å²	44	56 Å²	56	45%	0.454	33%	0.327	S	S	.	.			trans	71.7	3	-174.5	0	0	0	0	0	115.1	D832	D832-G834 PolarHBondContact OD1-N 2.87Å
835	L	95.4	Very high	95.8	Very high	13 Å²	13	55.5 Å²	55.5	7%	0.068	32%	0.322	C	S	.	.			trans	-83.1	139.1	175.3	-69.2	172.2	0	0	0	111.5	I574 M607 Q609 L610 V823 T833 V840	I574-L835 HydrophobicContact CB-CD1 4.07Å; I574-L835 HydrophobicContact CG1-CD1 3.98Å; I574-L835 HydrophobicContact CG2-CD1 4.14Å; M607-L835 HydrophobicContact CE-CD2 4.08Å; Q609-L835 HydrophobicContact CB-CD2 3.96Å; L610-L835 HydrophobicContact CD2-CD1 4.14Å; L610-L835 HydrophobicContact CD2-CD2 4.41Å; V823-L835 HydrophobicContact CG1-CB 4.25Å; V823-L835 WeakPolarHBondContact CG1-O 3.28Å; V823-L835 HydrophobicContact CG2-CB 4.08Å; V823-L835 HydrophobicContact CG2-CD1 4.06Å; T833-L835 PolarHBondContact O-N 3.09Å; T833-L835 PolarHBondContact OG1-N 3.22Å; L835-V840 HydrophobicContact CB-CG2 4.39Å
836	S	94.1	Very high	95.8	Very high	47 Å²	47	52 Å²	52	33%	0.329	30%	0.299	S	S	.	.			trans	-75.6	127.5	174.8	172.5	0	0	0	0	111.1	E838 D839 V840	S836-E838 PolarHBondContact O-N 3.09Å; S836-E838 PolarHBondContact OG-N 3.18Å; S836-D839 WeakPolarHBondContact CB-OD2 3.42Å; S836-D839 PolarHBondContact O-N 2.62Å; S836-D839 PolarHBondContact OG-N 3.32Å; S836-D839 PolarHBondContact OG-OD2 2.94Å; S836-V840 WeakPolarHBondContact O-CG2 3.1Å; S836-V840 PolarHBondContact O-N 2.79Å
837	S	94.5	Very high	95.9	Very high	49 Å²	49	51.7 Å²	51.7	34%	0.343	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-31.2	174.4	-46.6	0	0	0	0	112.5	S841	S837-S841 VanDerWaalsContact O-CB 3.3Å; S837-S841 WeakPolarHBondContact O-CB 3.2Å; S837-S841 PolarHBondContact O-N 3.05Å
838	E	95.8	Very high	96	Very high	148 Å²	148	52.8 Å²	52.8	69%	0.692	30%	0.304	S	S	*	.	H	α-helix	trans	-69	-41.4	176.4	-176.9	176.1	-179	0	0	111.3	S836 S841 T842	S836-E838 PolarHBondContact O-N 3.09Å; S836-E838 PolarHBondContact OG-N 3.18Å; E838-S841 PolarHBondContact O-N 3.27Å; E838-T842 WeakPolarHBondContact O-CB 3.39Å; E838-T842 PolarHBondContact O-N 2.73Å; E838-T842 PolarHBondContact O-OG1 3.48Å
839	D	95.8	Very high	96.2	Very high	36 Å²	36	48.2 Å²	48.2	19%	0.193	28%	0.283	C	S	.	.	H	α-helix	trans	-69.1	-40.3	-179.7	-67.1	-43.3	0	0	0	111.3	Y602 M607 S836 T842 Y843	Y602-D839 WeakPolarHBondContact OH-CA 3.49Å; Y602-D839 PolarHBondContact OH-O 2.89Å; Y602-D839 PolarHBondContact OH-OD1 3.44Å; M607-D839 HydrophobicContact CG-CB 4.38Å; S836-D839 WeakPolarHBondContact CB-OD2 3.42Å; S836-D839 PolarHBondContact O-N 2.62Å; S836-D839 PolarHBondContact OG-N 3.32Å; S836-D839 PolarHBondContact OG-OD2 2.94Å; D839-T842 PolarHBondContact O-N 2.94Å; D839-Y843 WeakPolarHBondContact O-CB 3.45Å; D839-Y843 PolarHBondContact O-N 3.42Å
840	V	97.1	Very high	96.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-44.4	173.8	175	0	0	0	0	111	M607 M819 L835 S836 T842 Y843 S844	M607-V840 HydrophobicContact CE-CG2 3.96Å; M819-V840 HydrophobicContact CB-CG1 4.34Å; M819-V840 HydrophobicContact CG-CG1 4.01Å; M819-V840 HydrophobicContact CG-CG2 4.27Å; M819-V840 HydrophobicContact SD-CG1 3.96Å; M819-V840 HydrophobicContact SD-CG2 3.89Å; L835-V840 HydrophobicContact CB-CG2 4.39Å; S836-V840 WeakPolarHBondContact O-CG2 3.1Å; S836-V840 PolarHBondContact O-N 2.79Å; V840-T842 PolarHBondContact O-N 3.39Å; V840-Y843 PolarHBondContact O-N 3.13Å; V840-S844 WeakPolarHBondContact O-CB 3.39Å; V840-S844 PolarHBondContact O-N 3.13Å
841	S	97.3	Very high	96.5	Very high	73 Å²	73	40.1 Å²	40.1	51%	0.51	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-41.7	177.9	-174.9	0	0	0	0	112.1	S837 E838 S844 A845	S837-S841 VanDerWaalsContact O-CB 3.3Å; S837-S841 WeakPolarHBondContact O-CB 3.2Å; S837-S841 PolarHBondContact O-N 3.05Å; E838-S841 PolarHBondContact O-N 3.27Å; S841-S844 WeakPolarHBondContact O-CB 3.46Å; S841-S844 PolarHBondContact O-N 3.37Å; S841-A845 PolarHBondContact O-N 3.32Å
842	T	97.3	Very high	96.6	Very high	50 Å²	50	39.9 Å²	39.9	31%	0.307	24%	0.236	S	C	.	.	H	α-helix	trans	-65.9	-40.1	176.8	-63.9	0	0	0	0	111.8	P538 Y602 E838 D839 V840 S844 A845 Y846	P538-T842 HydrophobicContact CB-CG2 3.61Å; P538-T842 HydrophobicContact CG-CG2 3.59Å; Y602-T842 HydrophobicContact CE2-CG2 3.87Å; Y602-T842 VanDerWaalsContact OH-CB 3.29Å; Y602-T842 WeakPolarHBondContact OH-CB 3.24Å; Y602-T842 WeakPolarHBondContact OH-CG2 3.42Å; E838-T842 WeakPolarHBondContact O-CB 3.39Å; E838-T842 PolarHBondContact O-N 2.73Å; E838-T842 PolarHBondContact O-OG1 3.48Å; D839-T842 PolarHBondContact O-N 2.94Å; V840-T842 PolarHBondContact O-N 3.39Å; T842-S844 VanDerWaalsContact C-N 3.34Å; T842-A845 PolarHBondContact O-N 3.06Å; T842-Y846 PolarHBondContact O-N 3.15Å
843	Y	97.6	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-42.6	172	-178.1	-141.4	0	0	0	111.6	D576 I599 L603 M607 V807 D839 V840 A845 Y846 W847	D576-Y843 VanDerWaalsContact OD2-CE1 3.26Å; D576-Y843 WeakPolarHBondContact OD2-CE1 3.49Å; D576-Y843 PolarHBondContact OD2-OH 3.28Å; I599-Y843 HydrophobicContact CD1-CD2 4.17Å; I599-Y843 HydrophobicContact CG1-CD2 3.65Å; I599-Y843 HydrophobicContact CG1-CE2 3.58Å; I599-Y843 HydrophobicContact CG2-CE2 4.33Å; L603-Y843 HydrophobicContact CD1-CE2 4.33Å; L603-Y843 HydrophobicContact CD2-CD1 4.22Å; L603-Y843 HydrophobicContact CD2-CD2 4.14Å; L603-Y843 HydrophobicContact CD2-CE1 3.95Å; L603-Y843 HydrophobicContact CD2-CE2 3.84Å; L603-Y843 HydrophobicContact CD2-CG 4.33Å; L603-Y843 HydrophobicContact CG-CE2 4.24Å; M607-Y843 HydrophobicContact SD-CD1 4.08Å; M607-Y843 HydrophobicContact SD-CG 4.27Å; V807-Y843 HydrophobicContact CB-CD1 3.77Å; V807-Y843 HydrophobicContact CB-CE1 3.78Å; V807-Y843 HydrophobicContact CG1-CD1 4.45Å; V807-Y843 HydrophobicContact CG1-CE1 4.25Å; V807-Y843 HydrophobicContact CG2-CD1 3.49Å; V807-Y843 VanDerWaalsContact CG2-CD1 3.49Å; V807-Y843 HydrophobicContact CG2-CE1 4.04Å; V807-Y843 HydrophobicContact CG2-CG 4.04Å; D839-Y843 WeakPolarHBondContact O-CB 3.45Å; D839-Y843 PolarHBondContact O-N 3.42Å; V840-Y843 PolarHBondContact O-N 3.13Å; Y843-A845 PolarHBondContact O-N 3.12Å; Y843-Y846 PolarHBondContact O-N 2.95Å; Y843-W847 AromaticContact CD2-CD1 3.71Å; Y843-W847 AromaticContact CD2-NE1 3.83Å; Y843-W847 AromaticContact CE2-CD1 3.33Å; Y843-W847 AromaticContact CE2-NE1 2.97Å; Y843-W847 AromaticContact CZ-CD1 3.66Å; Y843-W847 AromaticContact CZ-NE1 3.2Å; Y843-W847 PolarHBondContact O-N 3.24Å; Y843-W847 PolarHBondContact OH-NE1 3.11Å
844	S	98	Very high	96.6	Very high	13 Å²	13	38 Å²	38	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-39.7	175.7	-164.4	0	0	0	0	112.3	V807 S809 V840 S841 T842 Y846 W847 E848	V807-S844 VanDerWaalsContact CG2-CA 3.45Å; S809-S844 WeakPolarHBondContact CB-OG 3.38Å; S809-S844 PolarHBondContact N-OG 3.49Å; S809-S844 PolarHBondContact OG-O 3.26Å; S809-S844 PolarHBondContact OG-OG 3.26Å; V840-S844 WeakPolarHBondContact O-CB 3.39Å; V840-S844 PolarHBondContact O-N 3.13Å; S841-S844 WeakPolarHBondContact O-CB 3.46Å; S841-S844 PolarHBondContact O-N 3.37Å; T842-S844 VanDerWaalsContact C-N 3.34Å; S844-Y846 PolarHBondContact O-N 3.04Å; S844-W847 PolarHBondContact O-N 3.09Å; S844-W847 VanDerWaalsContact O-N 3.09Å; S844-E848 WeakPolarHBondContact O-CB 3.29Å; S844-E848 PolarHBondContact O-N 2.99Å
845	A	97.6	Very high	96.6	Very high	48 Å²	48	36.8 Å²	36.8	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-31.4	-178.9	0	0	0	0	0	112.9	S841 T842 Y843 Q849	S841-A845 PolarHBondContact O-N 3.32Å; T842-A845 PolarHBondContact O-N 3.06Å; Y843-A845 PolarHBondContact O-N 3.12Å; A845-Q849 PolarHBondContact O-NE2 3.29Å
846	Y	98	Very high	96.4	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-48.3	170.8	171.1	-98.1	0	0	0	111.4	P535 V537 D595 I599 T842 Y843 S844 Q849 T850	P535-Y846 HydrophobicContact CB-CD2 4.15Å; P535-Y846 HydrophobicContact CB-CE2 3.86Å; V537-Y846 HydrophobicContact CG2-CD2 4.44Å; V537-Y846 HydrophobicContact CG2-CE2 3.98Å; D595-Y846 PolarHBondContact O-OH 3.08Å; I599-Y846 HydrophobicContact CB-CD1 3.73Å; I599-Y846 HydrophobicContact CB-CE1 3.5Å; I599-Y846 HydrophobicContact CB-CG 4.37Å; I599-Y846 HydrophobicContact CD1-CD1 3.79Å; I599-Y846 HydrophobicContact CD1-CD2 4.23Å; I599-Y846 HydrophobicContact CD1-CE1 4.4Å; I599-Y846 HydrophobicContact CD1-CG 3.68Å; I599-Y846 HydrophobicContact CG1-CD1 3.61Å; I599-Y846 HydrophobicContact CG1-CE1 3.97Å; I599-Y846 HydrophobicContact CG1-CG 4.07Å; I599-Y846 HydrophobicContact CG2-CD1 4.27Å; I599-Y846 HydrophobicContact CG2-CE1 3.84Å; T842-Y846 PolarHBondContact O-N 3.15Å; Y843-Y846 PolarHBondContact O-N 2.95Å; S844-Y846 PolarHBondContact O-N 3.04Å; Y846-Q849 PolarHBondContact O-N 3.29Å; Y846-T850 HydrophobicContact CE1-CG2 4.37Å; Y846-T850 WeakPolarHBondContact CE1-OG1 3.23Å; Y846-T850 VanDerWaalsContact CZ-OG1 3.26Å; Y846-T850 WeakPolarHBondContact O-CB 3.27Å; Y846-T850 PolarHBondContact O-N 2.83Å; Y846-T850 PolarHBondContact O-OG1 3.09Å
847	W	98.2	Very high	96.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-31.4	-177.4	-82.8	111.9	0	0	0	113.1	T578 V591 L596 I599 V807 S809 M810 Y843 S844 T850 R851	T578-W847 HydrophobicContact CG2-CD2 3.77Å; T578-W847 VanDerWaalsContact CG2-CE2 3.41Å; T578-W847 HydrophobicContact CG2-CE3 4.44Å; T578-W847 HydrophobicContact CG2-CG 4.03Å; T578-W847 HydrophobicContact CG2-CZ2 3.86Å; V591-W847 HydrophobicContact CG1-CH2 3.69Å; V591-W847 HydrophobicContact CG1-CZ3 3.86Å; V591-W847 HydrophobicContact CG2-CZ3 4.25Å; L596-W847 HydrophobicContact CD2-CH2 3.73Å; L596-W847 HydrophobicContact CD2-CZ2 4.01Å; I599-W847 HydrophobicContact CG2-CZ2 4.19Å; V807-W847 HydrophobicContact CG1-CB 3.99Å; V807-W847 HydrophobicContact CG1-CG 3.93Å; S809-W847 WeakPolarHBondContact OG-CB 3.28Å; M810-W847 HydrophobicContact CG-CB 3.92Å; M810-W847 HydrophobicContact CG-CD2 4.17Å; M810-W847 HydrophobicContact CG-CE3 4.11Å; M810-W847 HydrophobicContact CG-CG 4.12Å; M810-W847 HydrophobicContact SD-CE3 4.31Å; Y843-W847 AromaticContact CD2-CD1 3.71Å; Y843-W847 AromaticContact CD2-NE1 3.83Å; Y843-W847 AromaticContact CE2-CD1 3.33Å; Y843-W847 AromaticContact CE2-NE1 2.97Å; Y843-W847 AromaticContact CZ-CD1 3.66Å; Y843-W847 AromaticContact CZ-NE1 3.2Å; Y843-W847 PolarHBondContact O-N 3.24Å; Y843-W847 PolarHBondContact OH-NE1 3.11Å; S844-W847 PolarHBondContact O-N 3.09Å; S844-W847 VanDerWaalsContact O-N 3.09Å; W847-T850 HydrophobicContact CE3-CG2 3.99Å; W847-T850 HydrophobicContact CZ3-CG2 3.87Å; W847-T850 PolarHBondContact O-N 3.46Å; W847-R851 VanDerWaalsContact O-CB 3.23Å; W847-R851 WeakPolarHBondContact O-CB 3.38Å; W847-R851 PolarHBondContact O-N 3.32Å
848	E	97.4	Very high	95.9	Very high	122 Å²	122	32.3 Å²	32.3	57%	0.57	18%	0.179	S	C	*	.	H	α-helix	trans	-57	-49.9	172.2	-171.2	68.7	-154	0	0	110.9	S809 S844	S809-E848 WeakPolarHBondContact CB-OE2 3.33Å; S809-E848 PolarHBondContact OG-N 2.99Å; S844-E848 WeakPolarHBondContact O-CB 3.29Å; S844-E848 PolarHBondContact O-N 2.99Å
849	Q	97.5	Very high	95.4	Very high	65 Å²	65	25.3 Å²	25.3	30%	0.304	15%	0.146	S	C	.	.	H	α-helix	trans	-66.4	-45.8	175.1	-71.3	169.1	72.4	0	0	111.2	I533 P535 K536 A845 Y846 R851 S852	I533-Q849 HydrophobicContact CD1-CB 3.88Å; I533-Q849 HydrophobicContact CD1-CG 4.23Å; P535-Q849 HydrophobicContact CB-CB 3.97Å; P535-Q849 HydrophobicContact CG-CB 4.38Å; K536-Q849 VanDerWaalsContact N-OE1 3.17Å; A845-Q849 PolarHBondContact O-NE2 3.29Å; Y846-Q849 PolarHBondContact O-N 3.29Å; Q849-R851 PolarHBondContact O-N 3.37Å; Q849-S852 WeakPolarHBondContact O-CB 2.88Å; Q849-S852 PolarHBondContact O-N 3.27Å; Q849-S852 PolarHBondContact O-OG 3.43Å
850	T	97.6	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-40.7	-176.6	-58.6	0	0	0	0	112.2	P535 D595 Y846 W847 S852 L853 Y854	P535-T850 WeakPolarHBondContact CB-OG1 3.39Å; D595-T850 HydrophobicContact CB-CG2 3.77Å; Y846-T850 HydrophobicContact CE1-CG2 4.37Å; Y846-T850 WeakPolarHBondContact CE1-OG1 3.23Å; Y846-T850 VanDerWaalsContact CZ-OG1 3.26Å; Y846-T850 WeakPolarHBondContact O-CB 3.27Å; Y846-T850 PolarHBondContact O-N 2.83Å; Y846-T850 PolarHBondContact O-OG1 3.09Å; W847-T850 HydrophobicContact CE3-CG2 3.99Å; W847-T850 HydrophobicContact CZ3-CG2 3.87Å; W847-T850 PolarHBondContact O-N 3.46Å; T850-S852 PolarHBondContact O-N 3.12Å; T850-L853 VanDerWaalsContact O-CB 3.26Å; T850-L853 WeakPolarHBondContact O-CB 3.31Å; T850-L853 PolarHBondContact O-N 3.45Å; T850-Y854 HydrophobicContact CG2-CE2 4.04Å; T850-Y854 WeakPolarHBondContact O-CD2 3.39Å
851	R	96.9	Very high	93.6	Very high	42 Å²	42	28.9 Å²	28.9	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-56.9	-34.7	177.3	-176	175.1	-177.9	171.8	-0.5	111.9	L587 S809 M810 W847 Q849 L853 Y854 A855 E858	L587-R851 HydrophobicContact CD1-CG 4.39Å; L587-R851 HydrophobicContact CD2-CG 4.28Å; S809-R851 WeakPolarHBondContact O-CD 3.42Å; S809-R851 PolarHBondContact O-NH1 3.46Å; M810-R851 HydrophobicContact SD-CB 4.09Å; M810-R851 HydrophobicContact SD-CG 4.09Å; W847-R851 VanDerWaalsContact O-CB 3.23Å; W847-R851 WeakPolarHBondContact O-CB 3.38Å; W847-R851 PolarHBondContact O-N 3.32Å; Q849-R851 PolarHBondContact O-N 3.37Å; R851-L853 PolarHBondContact O-N 2.96Å; R851-Y854 CarbonylContact O-C 3.55Å; R851-Y854 WeakPolarHBondContact O-CA 3.1Å; R851-Y854 WeakPolarHBondContact O-CB 3.46Å; R851-Y854 PolarHBondContact O-N 3.39Å; R851-A855 PolarHBondContact O-N 2.91Å; R851-E858 IonicContact CZ-OE1 2.8Å; R851-E858 IonicContact CZ-OE2 2.88Å; R851-E858 IonicContact NE-OE1 3.75Å; R851-E858 IonicContact NE-OE2 3.72Å; R851-E858 PolarHBondContact NE-OE2 3.33Å; R851-E858 IonicContact NH2-OE1 3.59Å; R851-E858 PolarHBondContact NH2-OE1 2.87Å; R851-E858 IonicContact NH2-OE2 3.75Å; R851-E858 PolarHBondContact NH2-OE2 3.1Å
852	S	96.2	Very high	92.3	Very high	39 Å²	39	27.4 Å²	27.4	27%	0.273	16%	0.157	S	C	.	.	H	α-helix	trans	-63.5	-23.2	177.5	76.2	0	0	0	0	113.9	S531 I533 Q849 T850 Y854 A855	S531-S852 VanDerWaalsContact CB-OG 3.31Å; S531-S852 WeakPolarHBondContact CB-OG 3.45Å; S531-S852 PolarHBondContact N-O 2.87Å; S531-S852 VanDerWaalsContact N-O 3.1Å; S531-S852 WeakPolarHBondContact OG-CB 3.22Å; S531-S852 PolarHBondContact OG-O 3.4Å; S531-S852 PolarHBondContact OG-OG 3.35Å; I533-S852 WeakPolarHBondContact CD1-OG 3.21Å; Q849-S852 WeakPolarHBondContact O-CB 2.88Å; Q849-S852 PolarHBondContact O-N 3.27Å; Q849-S852 PolarHBondContact O-OG 3.43Å; T850-S852 PolarHBondContact O-N 3.12Å; S852-Y854 PolarHBondContact O-N 2.98Å; S852-A855 WeakPolarHBondContact O-CB 3.37Å; S852-A855 PolarHBondContact O-N 3.44Å
853	L	96.3	Very high	91.4	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.2	171.7	-58.7	174.1	0	0	0	112.2	P530 S531 I533 P535 T850 R851 T1044	P530-L853 WeakPolarHBondContact CB-O 3.4Å; S531-L853 WeakPolarHBondContact O-CD2 3.39Å; S531-L853 WeakPolarHBondContact OG-CD2 3.43Å; S531-L853 PolarHBondContact OG-N 2.99Å; I533-L853 HydrophobicContact CG1-CD2 4.38Å; P535-L853 HydrophobicContact CG-CD1 3.58Å; P535-L853 HydrophobicContact CG-CG 4.25Å; T850-L853 VanDerWaalsContact O-CB 3.26Å; T850-L853 WeakPolarHBondContact O-CB 3.31Å; T850-L853 PolarHBondContact O-N 3.45Å; R851-L853 PolarHBondContact O-N 2.96Å; L853-T1044 HydrophobicContact CB-CG2 4.03Å
854	Y	95.9	Very high	90.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	14.1	-178.4	-62.4	-83	0	0	0	113	L587 R590 V591 R592 D595 T850 R851 S852 P856 F857 T1044 F1048	L587-Y854 HydrophobicContact CD1-CD2 4.3Å; L587-Y854 HydrophobicContact CD1-CG 4.1Å; R590-Y854 HydrophobicContact CB-CD1 4.16Å; R590-Y854 HydrophobicContact CB-CE1 4.46Å; R590-Y854 WeakPolarHBondContact O-CE1 3.42Å; V591-Y854 HydrophobicContact CG2-CD2 4.29Å; V591-Y854 HydrophobicContact CG2-CE1 4.46Å; V591-Y854 HydrophobicContact CG2-CE2 4.09Å; R592-Y854 HydrophobicContact CG-CE1 4.44Å; R592-Y854 PolarHBondContact N-OH 3.21Å; D595-Y854 WeakPolarHBondContact OD2-CE2 3.45Å; D595-Y854 PolarHBondContact OD2-OH 2.93Å; T850-Y854 HydrophobicContact CG2-CE2 4.04Å; T850-Y854 WeakPolarHBondContact O-CD2 3.39Å; R851-Y854 CarbonylContact O-C 3.55Å; R851-Y854 WeakPolarHBondContact O-CA 3.1Å; R851-Y854 WeakPolarHBondContact O-CB 3.46Å; R851-Y854 PolarHBondContact O-N 3.39Å; S852-Y854 PolarHBondContact O-N 2.98Å; Y854-P856 WeakPolarHBondContact O-CD 3.27Å; Y854-F857 HydrophobicContact CD1-CD2 4.3Å; Y854-F857 PolarHBondContact O-N 3.27Å; Y854-T1044 HydrophobicContact CD1-CG2 4.42Å; Y854-T1044 HydrophobicContact CE1-CG2 3.71Å; Y854-T1044 HydrophobicContact CE2-CG2 4.02Å; Y854-T1044 VanDerWaalsContact CZ-CG2 3.48Å; Y854-T1044 WeakPolarHBondContact OH-CG2 3.39Å; Y854-T1044 PolarHBondContact OH-OG1 2.63Å; Y854-F1048 AromaticContact CD1-CE2 3.79Å; Y854-F1048 HydrophobicContact CD1-CE2 3.79Å; Y854-F1048 HydrophobicContact CD1-CZ 4.18Å; Y854-F1048 AromaticContact CE1-CE2 3.66Å; Y854-F1048 HydrophobicContact CE1-CE2 3.66Å; Y854-F1048 AromaticContact CE1-CZ 4Å; Y854-F1048 HydrophobicContact CE1-CZ 4Å
855	A	93.7	Very high	90.2	Very high	18 Å²	18	39.9 Å²	39.9	15%	0.149	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-46.2	-35	174.4	0	0	0	0	0	114.9	T526 L528 R851 S852 F857 E858	T526-A855 PolarHBondContact OG1-O 2.85Å; L528-A855 HydrophobicContact CB-CB 3.97Å; L528-A855 HydrophobicContact CD1-CB 4.48Å; R851-A855 PolarHBondContact O-N 2.91Å; S852-A855 WeakPolarHBondContact O-CB 3.37Å; S852-A855 PolarHBondContact O-N 3.44Å; A855-F857 PolarHBondContact O-N 3.1Å; A855-E858 WeakPolarHBondContact O-CB 3.31Å; A855-E858 PolarHBondContact O-N 3.12Å
856	P	91.1	Very high	89.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.1	-13	174	-21.1	28.3	0	0	0	116	L524 A525 T526 L528 P530 Y854	L524-P856 HydrophobicContact CB-CB 4.02Å; L524-P856 HydrophobicContact CD1-CB 4.34Å; L524-P856 HydrophobicContact CD1-CG 4.43Å; L524-P856 HydrophobicContact CD2-CB 3.85Å; L524-P856 HydrophobicContact CD2-CG 4.18Å; L524-P856 HydrophobicContact CG-CB 4.27Å; A525-P856 CarbonylContact C-O 3.56Å; A525-P856 WeakPolarHBondContact CA-O 3.43Å; A525-P856 WeakPolarHBondContact CB-O 3.3Å; A525-P856 PolarHBondContact N-O 3.09Å; A525-P856 VanDerWaalsContact N-O 3.09Å; T526-P856 PolarHBondContact N-O 2.91Å; T526-P856 WeakPolarHBondContact OG1-CA 3.33Å; T526-P856 PolarHBondContact OG1-O 3.46Å; L528-P856 WeakPolarHBondContact O-CA 3.22Å; L528-P856 WeakPolarHBondContact O-CD 3.34Å; L528-P856 WeakPolarHBondContact O-CG 3.12Å; P530-P856 HydrophobicContact CG-CG 3.64Å; Y854-P856 WeakPolarHBondContact O-CD 3.27Å
857	F	90.3	Very high	89	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.013	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-119.5	7.4	-176.8	-51.3	-70.9	0	0	0	112.7	T522 L524 A525 R590 Y854 A855 C859 F1048	T522-F857 HydrophobicContact CG2-CZ 4.42Å; L524-F857 HydrophobicContact CD2-CE1 4.46Å; L524-F857 HydrophobicContact CD2-CE2 4.42Å; L524-F857 HydrophobicContact CD2-CZ 3.82Å; A525-F857 HydrophobicContact CB-CD1 4.16Å; R590-F857 HydrophobicContact CB-CD2 3.84Å; R590-F857 HydrophobicContact CB-CE2 4.15Å; R590-F857 HydrophobicContact CB-CG 4.07Å; R590-F857 HydrophobicContact CG-CB 4.3Å; R590-F857 HydrophobicContact CG-CD1 3.76Å; R590-F857 HydrophobicContact CG-CD2 3.91Å; R590-F857 HydrophobicContact CG-CE1 4Å; R590-F857 HydrophobicContact CG-CE2 4.16Å; R590-F857 HydrophobicContact CG-CG 3.69Å; R590-F857 HydrophobicContact CG-CZ 4.19Å; Y854-F857 HydrophobicContact CD1-CD2 4.3Å; Y854-F857 PolarHBondContact O-N 3.27Å; A855-F857 PolarHBondContact O-N 3.1Å; F857-C859 PolarHBondContact O-N 3.32Å; F857-F1048 HydrophobicContact CD2-CZ 4.34Å; F857-F1048 AromaticContact CE2-CD1 4Å; F857-F1048 HydrophobicContact CE2-CD1 4Å; F857-F1048 HydrophobicContact CE2-CD2 4.24Å; F857-F1048 AromaticContact CE2-CE1 3.51Å; F857-F1048 HydrophobicContact CE2-CE1 3.51Å; F857-F1048 AromaticContact CE2-CE2 3.76Å; F857-F1048 HydrophobicContact CE2-CE2 3.76Å; F857-F1048 HydrophobicContact CE2-CG 4.37Å; F857-F1048 AromaticContact CE2-CZ 3.39Å; F857-F1048 HydrophobicContact CE2-CZ 3.39Å; F857-F1048 HydrophobicContact CZ-CD1 4Å; F857-F1048 AromaticContact CZ-CE1 3.59Å; F857-F1048 HydrophobicContact CZ-CE1 3.59Å; F857-F1048 AromaticContact CZ-CZ 3.97Å; F857-F1048 HydrophobicContact CZ-CZ 3.97Å
858	E	89.1	Confident	88.7	Confident	13 Å²	13	44.3 Å²	44.3	6%	0.061	24%	0.242	C	C	.	.			trans	-73.6	122	-170	-177.2	53.2	-130.1	0	0	111.9	L587 R851 A855 T860 T861	L587-E858 WeakPolarHBondContact CD2-OE2 3.47Å; R851-E858 IonicContact CZ-OE1 2.8Å; R851-E858 IonicContact CZ-OE2 2.88Å; R851-E858 IonicContact NE-OE1 3.75Å; R851-E858 IonicContact NE-OE2 3.72Å; R851-E858 PolarHBondContact NE-OE2 3.33Å; R851-E858 IonicContact NH2-OE1 3.59Å; R851-E858 PolarHBondContact NH2-OE1 2.87Å; R851-E858 IonicContact NH2-OE2 3.75Å; R851-E858 PolarHBondContact NH2-OE2 3.1Å; A855-E858 WeakPolarHBondContact O-CB 3.31Å; A855-E858 PolarHBondContact O-N 3.12Å; E858-T860 WeakPolarHBondContact CG-OG1 3.49Å; E858-T860 PolarHBondContact O-N 3.43Å; E858-T860 WeakPolarHBondContact OE1-CG2 3.47Å; E858-T860 PolarHBondContact OE1-N 3.02Å; E858-T860 PolarHBondContact OE1-OG1 3.32Å; E858-T861 PolarHBondContact O-N 2.83Å; E858-T861 PolarHBondContact O-OG1 2.86Å
859	C	84.1	Confident	88.4	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64.3	-22.4	179.6	70.2	0	0	0	0	112.7	L586 F857 T861 T862 M863 T881	L586-C859 PolarHBondContact O-N 2.79Å; L586-C859 VanDerWaalsContact O-N 3.09Å; F857-C859 PolarHBondContact O-N 3.32Å; C859-T861 PolarHBondContact O-N 2.73Å; C859-T862 PolarHBondContact O-N 3.26Å; C859-T862 PolarHBondContact O-OG1 2.9Å; C859-T862 VanDerWaalsContact O-OG1 3.09Å; C859-M863 PolarHBondContact O-N 2.95Å; C859-T881 HydrophobicContact CB-CG2 3.91Å
860	T	79.3	Confident	88.2	Confident	56 Å²	56	36.9 Å²	36.9	34%	0.344	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-68.8	-12.8	-179.7	63.3	0	0	0	0	115.1	L813 E858 T862 M863	L813-T860 HydrophobicContact CD1-CG2 3.45Å; L813-T860 VanDerWaalsContact CD1-CG2 3.45Å; E858-T860 WeakPolarHBondContact CG-OG1 3.49Å; E858-T860 PolarHBondContact O-N 3.43Å; E858-T860 WeakPolarHBondContact OE1-CG2 3.47Å; E858-T860 PolarHBondContact OE1-N 3.02Å; E858-T860 PolarHBondContact OE1-OG1 3.32Å; T860-T862 PolarHBondContact O-N 3.24Å; T860-M863 VanDerWaalsContact CA-O 3.27Å; T860-M863 WeakPolarHBondContact CA-O 3.26Å
861	T	75.9	Confident	87.9	Confident	58 Å²	58	40.3 Å²	40.3	36%	0.356	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-60.5	-28.5	169	54.4	0	0	0	0	112.4	T526 L528 E858 C859	T526-T861 HydrophobicContact CG2-CG2 3.85Å; T526-T861 WeakPolarHBondContact CG2-OG1 3.43Å; L528-T861 HydrophobicContact CD1-CG2 3.36Å; L528-T861 HydrophobicContact CG-CG2 4.02Å; E858-T861 PolarHBondContact O-N 2.83Å; E858-T861 PolarHBondContact O-OG1 2.86Å; C859-T861 PolarHBondContact O-N 2.73Å
862	T	70.6	Confident	87.7	Confident	41 Å²	41	45.2 Å²	45.2	25%	0.252	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-19	-176.2	57.2	0	0	0	0	113.4	C859 T860 Q884 Y888	C859-T862 PolarHBondContact O-N 3.26Å; C859-T862 PolarHBondContact O-OG1 2.9Å; C859-T862 VanDerWaalsContact O-OG1 3.09Å; T860-T862 PolarHBondContact O-N 3.24Å; T862-Q884 VanDerWaalsContact CB-NE2 3.32Å; T862-Q884 VanDerWaalsContact CB-OE1 3.24Å; T862-Q884 PolarHBondContact OG1-OE1 3.22Å; T862-Y888 HydrophobicContact CG2-CE2 3.69Å
863	M	78.8	Confident	87.5	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.049	24%	0.235	C	C	.	.			trans	-132.9	102.4	178.3	-177.8	173.9	-179.8	0	0	112.1	T814 C859 T860 S865 N867 Y880	T814-M863 HydrophobicContact CG2-CE 4.27Å; T814-M863 HydrophobicContact CG2-SD 3.97Å; C859-M863 PolarHBondContact O-N 2.95Å; T860-M863 VanDerWaalsContact CA-O 3.27Å; T860-M863 WeakPolarHBondContact CA-O 3.26Å; M863-S865 WeakPolarHBondContact CE-O 3.44Å; M863-S865 VanDerWaalsContact CG-O 3.24Å; M863-S865 WeakPolarHBondContact CG-O 3.18Å; M863-N867 HydrophobicContact CE-CB 4.3Å; M863-Y880 HydrophobicContact CE-CE1 4.44Å; M863-Y880 HydrophobicContact CG-CE1 4.42Å; M863-Y880 HydrophobicContact SD-CD1 3.77Å; M863-Y880 HydrophobicContact SD-CE1 3.42Å; M863-Y880 WeakPolarHBondContact SD-CE1 3.44Å
864	R	83	Confident	87.4	Confident	236 Å²	236	44.7 Å²	44.7	89%	0.891	24%	0.239	S	C	*	.			trans	-81.7	-17.7	-174.5	-62.9	-172.3	-178.9	-164.4	0.7	115.5
865	S	87	Confident	87.3	Confident	80 Å²	80	44.7 Å²	44.7	56%	0.559	24%	0.239	S	C	*	.	S	Bend	trans	-150.1	165.4	-178.5	65.4	0	0	0	0	110.3	M863	M863-S865 WeakPolarHBondContact CE-O 3.44Å; M863-S865 VanDerWaalsContact CG-O 3.24Å; M863-S865 WeakPolarHBondContact CG-O 3.18Å
866	G	83.4	Confident	87.1	Confident	27 Å²	27	44.2 Å²	44.2	28%	0.278	24%	0.235	S	C	.	.			trans	-56.2	159.1	163.4	0	0	0	0	0	111	T784	T784-G866 CarbonylContact O-C 3.55Å; T784-G866 VanDerWaalsContact O-C 3.29Å; T784-G866 WeakPolarHBondContact O-CA 3.49Å
867	N	87.3	Confident	86.5	Confident	55 Å²	55	44.2 Å²	44.2	29%	0.294	24%	0.235	S	C	.	.			trans	-134.9	124.3	179.6	-159.7	-15	0	0	0	111.5	T784 M863 D869 V870	T784-N867 PolarHBondContact O-N 3.01Å; M863-N867 HydrophobicContact CE-CB 4.3Å; N867-D869 WeakPolarHBondContact CB-OD1 3.35Å; N867-D869 PolarHBondContact ND2-OD1 2.69Å; N867-D869 PolarHBondContact ND2-OD2 2.92Å; N867-D869 PolarHBondContact O-N 2.91Å; N867-D869 VanDerWaalsContact OD1-CG 3.31Å; N867-D869 PolarHBondContact OD1-N 3.28Å; N867-D869 PolarHBondContact OD1-OD1 3.18Å; N867-V870 WeakPolarHBondContact O-CG1 3.22Å; N867-V870 PolarHBondContact O-N 3.22Å
868	A	91.6	Very high	85.8	Confident	60 Å²	60	44.6 Å²	44.6	50%	0.496	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.9	179.7	0	0	0	0	0	112.8	V870 Y871	A868-V870 PolarHBondContact O-N 2.8Å; A868-Y871 HydrophobicContact CB-CD2 4.42Å; A868-Y871 VanDerWaalsContact O-CD2 3.23Å; A868-Y871 WeakPolarHBondContact O-CD2 3.34Å; A868-Y871 PolarHBondContact O-N 3.05Å; A868-Y871 VanDerWaalsContact O-N 3.11Å
869	D	90.6	Very high	85.6	Confident	31 Å²	31	44.4 Å²	44.4	17%	0.166	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.5	172.4	71.7	-3	0	0	0	113.1	N867 Y871 E872 N873 K900	N867-D869 WeakPolarHBondContact CB-OD1 3.35Å; N867-D869 PolarHBondContact ND2-OD1 2.69Å; N867-D869 PolarHBondContact ND2-OD2 2.92Å; N867-D869 PolarHBondContact O-N 2.91Å; N867-D869 VanDerWaalsContact OD1-CG 3.31Å; N867-D869 PolarHBondContact OD1-N 3.28Å; N867-D869 PolarHBondContact OD1-OD1 3.18Å; D869-Y871 PolarHBondContact O-N 2.85Å; D869-E872 WeakPolarHBondContact O-CA 3.46Å; D869-E872 WeakPolarHBondContact O-CB 3.32Å; D869-E872 PolarHBondContact O-N 2.95Å; D869-N873 VanDerWaalsContact CG-ND2 3.33Å; D869-N873 VanDerWaalsContact O-CG 3.31Å; D869-N873 PolarHBondContact O-N 3.22Å; D869-N873 PolarHBondContact O-ND2 3.06Å; D869-N873 PolarHBondContact OD1-ND2 2.65Å; D869-K900 IonicContact OD2-NZ 2.78Å; D869-K900 PolarHBondContact OD2-NZ 3.49Å
870	V	92.9	Very high	85.5	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-57.4	-29.4	170.9	73.8	0	0	0	0	112.7	A753 L755 T784 A785 N867 A868 E872 N873 Q874	A753-V870 HydrophobicContact CB-CG2 4.14Å; A753-V870 WeakPolarHBondContact O-CG2 3.2Å; L755-V870 HydrophobicContact CD2-CG2 4.28Å; L755-V870 VanDerWaalsContact CD2-O 3.28Å; L755-V870 WeakPolarHBondContact CD2-O 3.26Å; T784-V870 HydrophobicContact CG2-CB 3.94Å; T784-V870 HydrophobicContact CG2-CG1 4.21Å; T784-V870 HydrophobicContact CG2-CG2 3.92Å; A785-V870 HydrophobicContact CB-CG1 3.84Å; N867-V870 WeakPolarHBondContact O-CG1 3.22Å; N867-V870 PolarHBondContact O-N 3.22Å; A868-V870 PolarHBondContact O-N 2.8Å; V870-E872 PolarHBondContact O-N 2.79Å; V870-N873 WeakPolarHBondContact CA-OD1 3.49Å; V870-Q874 WeakPolarHBondContact O-CA 3.43Å; V870-Q874 PolarHBondContact O-N 3.25Å
871	Y	93	Very high	85.4	Confident	71 Å²	71	42.3 Å²	42.3	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-67.9	-18.4	173.9	-62.9	-61.2	0	0	0	112.8	G754 L755 K757 A785 A868 D869	G754-Y871 WeakPolarHBondContact O-CE1 3.38Å; L755-Y871 HydrophobicContact CD2-CD1 4.28Å; K757-Y871 HydrophobicContact CG-CE1 3.86Å; A785-Y871 HydrophobicContact CB-CD2 4.36Å; A785-Y871 HydrophobicContact CB-CE2 3.46Å; A785-Y871 VanDerWaalsContact CB-CE2 3.46Å; A785-Y871 WeakPolarHBondContact CB-OH 3.31Å; A868-Y871 HydrophobicContact CB-CD2 4.42Å; A868-Y871 VanDerWaalsContact O-CD2 3.23Å; A868-Y871 WeakPolarHBondContact O-CD2 3.34Å; A868-Y871 PolarHBondContact O-N 3.05Å; A868-Y871 VanDerWaalsContact O-N 3.11Å; D869-Y871 PolarHBondContact O-N 2.85Å
872	E	91.9	Very high	85.5	Confident	146 Å²	146	42.5 Å²	42.5	68%	0.682	22%	0.224	S	C	*	.	H	α-helix	trans	-97.5	-51.1	175.7	-58.6	-177.3	175.5	0	0	111.8	D869 V870 T904	D869-E872 WeakPolarHBondContact O-CA 3.46Å; D869-E872 WeakPolarHBondContact O-CB 3.32Å; D869-E872 PolarHBondContact O-N 2.95Å; V870-E872 PolarHBondContact O-N 2.79Å; E872-T904 PolarHBondContact O-OG1 3.48Å
873	N	92.3	Very high	86.1	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-82.4	-26.4	-175.6	67.5	51.6	0	0	0	113.4	D869 V870 I875 Y903 T904	D869-N873 VanDerWaalsContact CG-ND2 3.33Å; D869-N873 VanDerWaalsContact O-CG 3.31Å; D869-N873 PolarHBondContact O-N 3.22Å; D869-N873 PolarHBondContact O-ND2 3.06Å; D869-N873 PolarHBondContact OD1-ND2 2.65Å; V870-N873 WeakPolarHBondContact CA-OD1 3.49Å; N873-I875 HydrophobicContact CB-CD1 4.04Å; N873-I875 HydrophobicContact CB-CG1 4.08Å; N873-I875 PolarHBondContact O-N 2.91Å; N873-I875 WeakPolarHBondContact OD1-CB 3.32Å; N873-I875 WeakPolarHBondContact OD1-CG1 3.47Å; N873-I875 PolarHBondContact OD1-N 3.4Å; N873-Y903 VanDerWaalsContact O-CD1 3.26Å; N873-Y903 WeakPolarHBondContact O-CD1 3.29Å; N873-T904 WeakPolarHBondContact CA-OG1 3.07Å
874	Q	94.1	Very high	86.2	Confident	25 Å²	25	40.6 Å²	40.6	12%	0.117	21%	0.212	C	C	.	.			trans	52.8	35.2	179	-56.1	174.1	41.1	0	0	113.5	S716 L755 V870 P876 K915	S716-Q874 PolarHBondContact OG-OE1 2.84Å; L755-Q874 HydrophobicContact CD1-CB 4.04Å; L755-Q874 HydrophobicContact CD1-CG 3.81Å; L755-Q874 HydrophobicContact CD2-CB 4.3Å; L755-Q874 HydrophobicContact CD2-CG 3.96Å; V870-Q874 WeakPolarHBondContact O-CA 3.43Å; V870-Q874 PolarHBondContact O-N 3.25Å; Q874-P876 WeakPolarHBondContact O-CD 3.27Å; Q874-K915 VanDerWaalsContact O-CE 3.23Å; Q874-K915 WeakPolarHBondContact O-CE 3.27Å
875	I	92.6	Very high	85.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.			trans	-77.5	121.7	176.2	-60.5	165.5	0	0	0	108.7	N873 Q879 Y880 L883 K900 Y903	N873-I875 HydrophobicContact CB-CD1 4.04Å; N873-I875 HydrophobicContact CB-CG1 4.08Å; N873-I875 PolarHBondContact O-N 2.91Å; N873-I875 WeakPolarHBondContact OD1-CB 3.32Å; N873-I875 WeakPolarHBondContact OD1-CG1 3.47Å; N873-I875 PolarHBondContact OD1-N 3.4Å; I875-Q879 HydrophobicContact CG2-CB 4.04Å; I875-Q879 HydrophobicContact CG2-CG 4Å; I875-Y880 HydrophobicContact CB-CD2 4.18Å; I875-Y880 HydrophobicContact CD1-CD2 4.3Å; I875-Y880 HydrophobicContact CG2-CD2 4.09Å; I875-Y880 HydrophobicContact CG2-CG 4.42Å; I875-L883 HydrophobicContact CD1-CD2 4.21Å; I875-K900 HydrophobicContact CD1-CB 4.46Å; I875-K900 HydrophobicContact CD1-CG 3.98Å; I875-Y903 HydrophobicContact CB-CE1 4.27Å; I875-Y903 HydrophobicContact CD1-CD1 4.18Å; I875-Y903 HydrophobicContact CD1-CD2 4.34Å; I875-Y903 HydrophobicContact CD1-CG 4.02Å; I875-Y903 HydrophobicContact CG1-CD1 3.4Å; I875-Y903 HydrophobicContact CG1-CD2 4.04Å; I875-Y903 HydrophobicContact CG1-CE1 3.46Å; I875-Y903 VanDerWaalsContact CG1-CE1 3.46Å; I875-Y903 HydrophobicContact CG1-CE2 4.15Å; I875-Y903 HydrophobicContact CG1-CG 3.69Å
876	P	90.6	Very high	85.3	Confident	8 Å²	8	30 Å²	30	5%	0.052	16%	0.163	C	C	.	.			trans	-60.9	151.3	176.6	-26	36.4	0	0	0	113	M752 Q874 G878 Q879 Y880 K915	M752-P876 HydrophobicContact CB-CB 4.33Å; M752-P876 HydrophobicContact CG-CB 4.17Å; M752-P876 HydrophobicContact CG-CG 4Å; M752-P876 WeakPolarHBondContact O-CA 3.47Å; M752-P876 WeakPolarHBondContact O-CB 3.48Å; Q874-P876 WeakPolarHBondContact O-CD 3.27Å; P876-G878 PolarHBondContact O-N 3.27Å; P876-Q879 HydrophobicContact CB-CB 4.25Å; P876-Q879 HydrophobicContact CG-CB 4.44Å; P876-Q879 CarbonylContact O-C 3.56Å; P876-Q879 WeakPolarHBondContact O-CA 3.38Å; P876-Q879 WeakPolarHBondContact O-CB 3.45Å; P876-Q879 PolarHBondContact O-N 3.03Å; P876-Y880 PolarHBondContact O-N 3.42Å; P876-K915 HydrophobicContact CG-CB 4.44Å; P876-K915 WeakPolarHBondContact CG-O 3.26Å
877	G	78.1	Confident	85.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-50.6	-55.3	-174.6	0	0	0	0	0	113.6	M752 Q879 Y880	M752-G877 PolarHBondContact O-N 3.41Å; G877-Q879 VanDerWaalsContact C-N 3.31Å; G877-Q879 PolarHBondContact O-N 3.36Å; G877-Y880 WeakPolarHBondContact O-CB 3.21Å; G877-Y880 PolarHBondContact O-N 3.14Å
878	G	75.1	Confident	84.7	Confident	11 Å²	11	31.9 Å²	31.9	11%	0.113	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-28.8	177.7	0	0	0	0	0	114.6	P876 N882	P876-G878 PolarHBondContact O-N 3.27Å; G878-N882 WeakPolarHBondContact O-CB 3.43Å; G878-N882 VanDerWaalsContact O-CG 3.27Å; G878-N882 PolarHBondContact O-N 3.48Å; G878-N882 PolarHBondContact O-ND2 3.23Å
879	Q	85.1	Confident	83.7	Confident	9 Å²	9	33.6 Å²	33.6	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-74.2	-33.2	175.4	-178.5	62.2	28.1	0	0	111.1	I875 P876 G877 N882 L883	I875-Q879 HydrophobicContact CG2-CB 4.04Å; I875-Q879 HydrophobicContact CG2-CG 4Å; P876-Q879 HydrophobicContact CB-CB 4.25Å; P876-Q879 HydrophobicContact CG-CB 4.44Å; P876-Q879 CarbonylContact O-C 3.56Å; P876-Q879 WeakPolarHBondContact O-CA 3.38Å; P876-Q879 WeakPolarHBondContact O-CB 3.45Å; P876-Q879 PolarHBondContact O-N 3.03Å; G877-Q879 VanDerWaalsContact C-N 3.31Å; G877-Q879 PolarHBondContact O-N 3.36Å; Q879-N882 PolarHBondContact O-N 3.01Å; Q879-L883 WeakPolarHBondContact O-CB 3.26Å; Q879-L883 PolarHBondContact O-N 2.76Å
880	Y	83.3	Confident	83.1	Confident	11 Å²	11	36.6 Å²	36.6	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-54.2	-179.5	-167.8	-80.3	0	0	0	110.9	T814 M863 I875 P876 G877 N882 L883 Q884 F896 K900	T814-Y880 HydrophobicContact CG2-CD1 4.41Å; T814-Y880 HydrophobicContact CG2-CG 4.43Å; M863-Y880 HydrophobicContact CE-CE1 4.44Å; M863-Y880 HydrophobicContact CG-CE1 4.42Å; M863-Y880 HydrophobicContact SD-CD1 3.77Å; M863-Y880 HydrophobicContact SD-CE1 3.42Å; M863-Y880 WeakPolarHBondContact SD-CE1 3.44Å; I875-Y880 HydrophobicContact CB-CD2 4.18Å; I875-Y880 HydrophobicContact CD1-CD2 4.3Å; I875-Y880 HydrophobicContact CG2-CD2 4.09Å; I875-Y880 HydrophobicContact CG2-CG 4.42Å; P876-Y880 PolarHBondContact O-N 3.42Å; G877-Y880 WeakPolarHBondContact O-CB 3.21Å; G877-Y880 PolarHBondContact O-N 3.14Å; Y880-N882 PolarHBondContact O-N 3.32Å; Y880-L883 PolarHBondContact O-N 2.99Å; Y880-Q884 WeakPolarHBondContact O-CB 3.38Å; Y880-Q884 PolarHBondContact O-N 3.41Å; Y880-F896 HydrophobicContact CE1-CE1 4.08Å; Y880-F896 HydrophobicContact CE1-CZ 4.33Å; Y880-F896 AromaticContact CZ-CE1 3.9Å; Y880-K900 HydrophobicContact CE2-CD 3.92Å
881	T	76.2	Confident	82.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-45.9	177.6	-54	0	0	0	0	111.3	S585 C859 Q884 F885	S585-T881 PolarHBondContact O-OG1 3.2Å; C859-T881 HydrophobicContact CB-CG2 3.91Å; T881-Q884 PolarHBondContact O-N 2.79Å; T881-F885 HydrophobicContact CG2-CD2 3.87Å; T881-F885 HydrophobicContact CG2-CE2 3.44Å; T881-F885 VanDerWaalsContact CG2-CE2 3.44Å; T881-F885 HydrophobicContact CG2-CZ 4.45Å; T881-F885 WeakPolarHBondContact O-CD2 3.28Å; T881-F885 PolarHBondContact O-N 2.88Å; T881-F885 VanDerWaalsContact O-N 3.12Å
882	N	77.2	Confident	82	Confident	63 Å²	63	37 Å²	37	34%	0.337	21%	0.205	S	C	.	.	H	α-helix	trans	-66.4	-42.8	179.4	-75.2	-30.6	0	0	0	113.2	G878 Q879 Y880 Q884 F885 Q886	G878-N882 WeakPolarHBondContact O-CB 3.43Å; G878-N882 VanDerWaalsContact O-CG 3.27Å; G878-N882 PolarHBondContact O-N 3.48Å; G878-N882 PolarHBondContact O-ND2 3.23Å; Q879-N882 PolarHBondContact O-N 3.01Å; Y880-N882 PolarHBondContact O-N 3.32Å; N882-Q884 VanDerWaalsContact C-N 3.26Å; N882-Q884 PolarHBondContact O-N 3.38Å; N882-F885 PolarHBondContact O-N 3.1Å; N882-Q886 WeakPolarHBondContact O-CB 3.31Å; N882-Q886 VanDerWaalsContact O-CG 3.25Å; N882-Q886 WeakPolarHBondContact O-CG 3.36Å; N882-Q886 PolarHBondContact O-N 2.73Å
883	L	83.8	Confident	81.4	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-35.9	180	-174.1	63.2	0	0	0	110.6	I875 Q879 Y880 S887 F896 V899 Y903 Q928	I875-L883 HydrophobicContact CD1-CD2 4.21Å; Q879-L883 WeakPolarHBondContact O-CB 3.26Å; Q879-L883 PolarHBondContact O-N 2.76Å; Y880-L883 PolarHBondContact O-N 2.99Å; L883-S887 WeakPolarHBondContact O-CB 3.34Å; L883-S887 PolarHBondContact O-N 3.21Å; L883-S887 PolarHBondContact O-OG 2.68Å; L883-F896 HydrophobicContact CB-CE2 4.45Å; L883-F896 HydrophobicContact CG-CE2 4.16Å; L883-V899 HydrophobicContact CD1-CG1 4.25Å; L883-V899 HydrophobicContact CD2-CG1 3.99Å; L883-V899 HydrophobicContact CG-CG1 4.1Å; L883-Y903 HydrophobicContact CD2-CD2 3.82Å; L883-Y903 HydrophobicContact CD2-CE2 4.17Å; L883-Q928 HydrophobicContact CD1-CG 3.96Å
884	Q	80.5	Confident	81	Confident	11 Å²	11	38.1 Å²	38.1	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-50.9	174.1	-168	166.7	40.4	0	0	111.5	T862 Y880 T881 N882 Q886 S887 Y888 F896	T862-Q884 VanDerWaalsContact CB-NE2 3.32Å; T862-Q884 VanDerWaalsContact CB-OE1 3.24Å; T862-Q884 PolarHBondContact OG1-OE1 3.22Å; Y880-Q884 WeakPolarHBondContact O-CB 3.38Å; Y880-Q884 PolarHBondContact O-N 3.41Å; T881-Q884 PolarHBondContact O-N 2.79Å; N882-Q884 VanDerWaalsContact C-N 3.26Å; N882-Q884 PolarHBondContact O-N 3.38Å; Q884-Q886 VanDerWaalsContact C-N 3.31Å; Q884-Q886 PolarHBondContact O-N 2.79Å; Q884-S887 PolarHBondContact O-N 3.39Å; Q884-S887 VanDerWaalsContact O-N 3.17Å; Q884-Y888 HydrophobicContact CG-CD2 4.04Å; Q884-Y888 HydrophobicContact CG-CE2 3.79Å; Q884-Y888 VanDerWaalsContact O-CD2 3.26Å; Q884-Y888 WeakPolarHBondContact O-CD2 3.07Å; Q884-Y888 PolarHBondContact O-N 2.88Å; Q884-F896 VanDerWaalsContact CA-CE2 3.44Å; Q884-F896 HydrophobicContact CB-CD2 4.4Å; Q884-F896 HydrophobicContact CB-CE1 4.24Å; Q884-F896 HydrophobicContact CB-CE2 3.77Å; Q884-F896 HydrophobicContact CB-CZ 3.67Å; Q884-F896 HydrophobicContact CG-CD1 4.38Å; Q884-F896 HydrophobicContact CG-CD2 4.39Å; Q884-F896 HydrophobicContact CG-CE1 4.16Å; Q884-F896 HydrophobicContact CG-CE2 4.19Å; Q884-F896 HydrophobicContact CG-CG 4.49Å; Q884-F896 HydrophobicContact CG-CZ 4.06Å
885	F	74.9	Confident	80.7	Confident	32 Å²	32	40.9 Å²	40.9	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-38.3	176.5	-73.8	-54.8	0	0	0	113.1	A525 T526 T881 N882 S889	A525-F885 HydrophobicContact CB-CD1 4.06Å; A525-F885 HydrophobicContact CB-CE1 3.61Å; A525-F885 HydrophobicContact CB-CZ 3.9Å; T526-F885 HydrophobicContact CG2-CE1 4.35Å; T881-F885 HydrophobicContact CG2-CD2 3.87Å; T881-F885 HydrophobicContact CG2-CE2 3.44Å; T881-F885 VanDerWaalsContact CG2-CE2 3.44Å; T881-F885 HydrophobicContact CG2-CZ 4.45Å; T881-F885 WeakPolarHBondContact O-CD2 3.28Å; T881-F885 PolarHBondContact O-N 2.88Å; T881-F885 VanDerWaalsContact O-N 3.12Å; N882-F885 PolarHBondContact O-N 3.1Å; F885-S889 WeakPolarHBondContact O-CB 3.38Å; F885-S889 PolarHBondContact O-N 2.98Å; F885-S889 PolarHBondContact O-OG 3.35Å
886	Q	77.9	Confident	80.4	Confident	62 Å²	62	41.6 Å²	41.6	29%	0.29	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-45.1	173.9	-73.8	171.2	6.3	0	0	111.6	N882 Q884 Y888 S889 L890	N882-Q886 WeakPolarHBondContact O-CB 3.31Å; N882-Q886 VanDerWaalsContact O-CG 3.25Å; N882-Q886 WeakPolarHBondContact O-CG 3.36Å; N882-Q886 PolarHBondContact O-N 2.73Å; Q884-Q886 VanDerWaalsContact C-N 3.31Å; Q884-Q886 PolarHBondContact O-N 2.79Å; Q886-Y888 VanDerWaalsContact C-N 3.32Å; Q886-Y888 PolarHBondContact O-N 3.31Å; Q886-S889 WeakPolarHBondContact O-CB 3.4Å; Q886-S889 PolarHBondContact O-N 3.29Å; Q886-S889 VanDerWaalsContact O-N 3.09Å; Q886-L890 WeakPolarHBondContact O-CG 3.5Å; Q886-L890 PolarHBondContact O-N 3.19Å
887	S	80.8	Confident	80.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-42.6	177.8	-60.2	0	0	0	0	111.2	L883 Q884 L890 G891 L892 G893	L883-S887 WeakPolarHBondContact O-CB 3.34Å; L883-S887 PolarHBondContact O-N 3.21Å; L883-S887 PolarHBondContact O-OG 2.68Å; Q884-S887 PolarHBondContact O-N 3.39Å; Q884-S887 VanDerWaalsContact O-N 3.17Å; S887-L890 PolarHBondContact O-N 2.81Å; S887-G891 PolarHBondContact O-N 3.37Å; S887-L892 CarbonylContact O-C 3.51Å; S887-L892 WeakPolarHBondContact O-CA 3.41Å; S887-L892 PolarHBondContact O-N 2.81Å; S887-G893 PolarHBondContact O-N 3.31Å
888	Y	76	Confident	81	Confident	120 Å²	120	49.6 Å²	49.6	47%	0.471	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-44.7	172.7	-84.1	-70.5	0	0	0	112.4	T862 Q884 Q886 L890 G891	T862-Y888 HydrophobicContact CG2-CE2 3.69Å; Q884-Y888 HydrophobicContact CG-CD2 4.04Å; Q884-Y888 HydrophobicContact CG-CE2 3.79Å; Q884-Y888 VanDerWaalsContact O-CD2 3.26Å; Q884-Y888 WeakPolarHBondContact O-CD2 3.07Å; Q884-Y888 PolarHBondContact O-N 2.88Å; Q886-Y888 VanDerWaalsContact C-N 3.32Å; Q886-Y888 PolarHBondContact O-N 3.31Å; Y888-L890 VanDerWaalsContact C-N 3.27Å; Y888-L890 PolarHBondContact O-N 3.13Å; Y888-G891 PolarHBondContact O-N 3.36Å; Y888-G891 VanDerWaalsContact O-N 3.14Å
889	S	71.2	Confident	81.8	Confident	96 Å²	96	49.1 Å²	49.1	67%	0.671	27%	0.268	S	S	*	.	H	α-helix	trans	-65.2	-28.9	-180	-57.1	0	0	0	0	113.2	F885 Q886	F885-S889 WeakPolarHBondContact O-CB 3.38Å; F885-S889 PolarHBondContact O-N 2.98Å; F885-S889 PolarHBondContact O-OG 3.35Å; Q886-S889 WeakPolarHBondContact O-CB 3.4Å; Q886-S889 PolarHBondContact O-N 3.29Å; Q886-S889 VanDerWaalsContact O-N 3.09Å
890	L	77.7	Confident	82.2	Confident	95 Å²	95	49 Å²	49	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.6	176.9	-66.6	177.4	0	0	0	113.7	Q886 S887 Y888 L892	Q886-L890 WeakPolarHBondContact O-CG 3.5Å; Q886-L890 PolarHBondContact O-N 3.19Å; S887-L890 PolarHBondContact O-N 2.81Å; Y888-L890 VanDerWaalsContact C-N 3.27Å; Y888-L890 PolarHBondContact O-N 3.13Å; L890-L892 VanDerWaalsContact C-N 3.27Å; L890-L892 HydrophobicContact CB-CD1 4.39Å; L890-L892 HydrophobicContact CB-CG 4.27Å; L890-L892 PolarHBondContact O-N 2.99Å
891	G	80.4	Confident	82.7	Confident	66 Å²	66	56.4 Å²	56.4	68%	0.68	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	15.7	-175.2	0	0	0	0	0	114.4	S887 Y888	S887-G891 PolarHBondContact O-N 3.37Å; Y888-G891 PolarHBondContact O-N 3.36Å; Y888-G891 VanDerWaalsContact O-N 3.14Å
892	L	83.3	Confident	83.6	Confident	14 Å²	14	58 Å²	58	7%	0.073	30%	0.302	C	S	.	.			trans	-98.1	9.4	176.3	-60	178.8	0	0	0	112.9	S887 L890 D894 Q895 F896 Q928 V931 Q932	S887-L892 CarbonylContact O-C 3.51Å; S887-L892 WeakPolarHBondContact O-CA 3.41Å; S887-L892 PolarHBondContact O-N 2.81Å; L890-L892 VanDerWaalsContact C-N 3.27Å; L890-L892 HydrophobicContact CB-CD1 4.39Å; L890-L892 HydrophobicContact CB-CG 4.27Å; L890-L892 PolarHBondContact O-N 2.99Å; L892-D894 VanDerWaalsContact C-N 3.33Å; L892-D894 PolarHBondContact O-N 3.13Å; L892-Q895 CarbonylContact O-C 3.58Å; L892-Q895 WeakPolarHBondContact O-CA 3.36Å; L892-Q895 PolarHBondContact O-N 3.42Å; L892-F896 PolarHBondContact O-N 3.44Å; L892-Q928 HydrophobicContact CD1-CB 4.33Å; L892-V931 HydrophobicContact CD1-CG1 4.49Å; L892-V931 HydrophobicContact CD2-CG1 4.17Å; L892-Q932 HydrophobicContact CD1-CB 4.34Å
893	G	78.8	Confident	84.5	Confident	10 Å²	10	55 Å²	55	10%	0.103	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-54.5	-45.5	-177.7	0	0	0	0	0	113.1	S887 Q895 F896	S887-G893 PolarHBondContact O-N 3.31Å; G893-Q895 PolarHBondContact O-N 2.89Å; G893-F896 WeakPolarHBondContact O-CB 3.45Å; G893-F896 PolarHBondContact O-N 3.38Å
894	D	83.9	Confident	85	Confident	166 Å²	166	57.1 Å²	57.1	89%	0.888	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-69.2	-11.8	178	-60.7	-23.1	0	0	0	113.2	L892	L892-D894 VanDerWaalsContact C-N 3.33Å; L892-D894 PolarHBondContact O-N 3.13Å
895	Q	87.3	Confident	85.7	Confident	84 Å²	84	59.6 Å²	59.6	39%	0.393	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-109.2	15.1	178.4	-58	-167.3	20.5	0	0	112.7	L892 G893 E897 N898 V899 V931	L892-Q895 CarbonylContact O-C 3.58Å; L892-Q895 WeakPolarHBondContact O-CA 3.36Å; L892-Q895 PolarHBondContact O-N 3.42Å; G893-Q895 PolarHBondContact O-N 2.89Å; Q895-E897 PolarHBondContact O-N 3.12Å; Q895-N898 HydrophobicContact CB-CB 4.49Å; Q895-N898 WeakPolarHBondContact O-CA 3.37Å; Q895-N898 WeakPolarHBondContact O-CB 3.44Å; Q895-N898 PolarHBondContact O-N 3.17Å; Q895-V899 PolarHBondContact O-N 3.37Å; Q895-V931 HydrophobicContact CB-CG1 4.15Å
896	F	87.4	Confident	86.7	Confident	14 Å²	14	58.1 Å²	58.1	6%	0.061	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-33.7	-175.5	-171.9	-114.4	0	0	0	113.5	Y880 L883 Q884 L892 G893 N898 V899 K900	Y880-F896 HydrophobicContact CE1-CE1 4.08Å; Y880-F896 HydrophobicContact CE1-CZ 4.33Å; Y880-F896 AromaticContact CZ-CE1 3.9Å; L883-F896 HydrophobicContact CB-CE2 4.45Å; L883-F896 HydrophobicContact CG-CE2 4.16Å; Q884-F896 VanDerWaalsContact CA-CE2 3.44Å; Q884-F896 HydrophobicContact CB-CD2 4.4Å; Q884-F896 HydrophobicContact CB-CE1 4.24Å; Q884-F896 HydrophobicContact CB-CE2 3.77Å; Q884-F896 HydrophobicContact CB-CZ 3.67Å; Q884-F896 HydrophobicContact CG-CD1 4.38Å; Q884-F896 HydrophobicContact CG-CD2 4.39Å; Q884-F896 HydrophobicContact CG-CE1 4.16Å; Q884-F896 HydrophobicContact CG-CE2 4.19Å; Q884-F896 HydrophobicContact CG-CG 4.49Å; Q884-F896 HydrophobicContact CG-CZ 4.06Å; L892-F896 PolarHBondContact O-N 3.44Å; G893-F896 WeakPolarHBondContact O-CB 3.45Å; G893-F896 PolarHBondContact O-N 3.38Å; F896-N898 VanDerWaalsContact C-N 3.31Å; F896-N898 PolarHBondContact O-N 2.96Å; F896-V899 HydrophobicContact CD2-CB 4.32Å; F896-V899 WeakPolarHBondContact O-CA 3.49Å; F896-V899 WeakPolarHBondContact O-CB 3.35Å; F896-V899 PolarHBondContact O-N 3.44Å; F896-V899 VanDerWaalsContact O-N 3.1Å; F896-K900 HydrophobicContact CD1-CD 4.46Å; F896-K900 HydrophobicContact CD1-CG 4.47Å; F896-K900 HydrophobicContact CE1-CD 4.04Å; F896-K900 HydrophobicContact CE1-CG 4.13Å; F896-K900 HydrophobicContact CZ-CG 4.3Å; F896-K900 PolarHBondContact O-N 3.09Å
897	E	88.9	Confident	87.6	Confident	103 Å²	103	55.3 Å²	55.3	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-61.2	-38.1	172.2	-69.8	-57	135	0	0	112.6	Q895 K900 R901	Q895-E897 PolarHBondContact O-N 3.12Å; E897-K900 PolarHBondContact O-N 3.4Å; E897-K900 WeakPolarHBondContact OE1-CE 3.48Å; E897-K900 IonicContact OE1-NZ 3.88Å; E897-K900 PolarHBondContact OE1-NZ 2.86Å; E897-K900 WeakPolarHBondContact OE2-CE 3.36Å; E897-K900 IonicContact OE2-NZ 2.65Å; E897-K900 PolarHBondContact OE2-NZ 3.45Å; E897-R901 WeakPolarHBondContact O-CG 3.08Å; E897-R901 PolarHBondContact O-N 2.81Å; E897-R901 VanDerWaalsContact O-N 3.13Å
898	N	91.6	Very high	88.3	Confident	74 Å²	74	60.6 Å²	60.6	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-69.1	-37.2	173.1	-68.2	-24.2	0	0	0	111.1	Q895 F896 K900 R901 K902 V931	Q895-N898 HydrophobicContact CB-CB 4.49Å; Q895-N898 WeakPolarHBondContact O-CA 3.37Å; Q895-N898 WeakPolarHBondContact O-CB 3.44Å; Q895-N898 PolarHBondContact O-N 3.17Å; F896-N898 VanDerWaalsContact C-N 3.31Å; F896-N898 PolarHBondContact O-N 2.96Å; N898-K900 VanDerWaalsContact C-N 3.34Å; N898-K900 PolarHBondContact O-N 3.14Å; N898-R901 PolarHBondContact O-N 3.46Å; N898-K902 WeakPolarHBondContact O-CB 3.33Å; N898-K902 WeakPolarHBondContact O-CG 3.39Å; N898-K902 PolarHBondContact O-N 2.77Å; N898-V931 HydrophobicContact CB-CG2 4.25Å
899	V	92.8	Very high	89.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-44.2	174.5	177.5	0	0	0	0	110.5	L883 Q895 F896 K902 Y903 A927 Q928 V931	L883-V899 HydrophobicContact CD1-CG1 4.25Å; L883-V899 HydrophobicContact CD2-CG1 3.99Å; L883-V899 HydrophobicContact CG-CG1 4.1Å; Q895-V899 PolarHBondContact O-N 3.37Å; F896-V899 HydrophobicContact CD2-CB 4.32Å; F896-V899 WeakPolarHBondContact O-CA 3.49Å; F896-V899 WeakPolarHBondContact O-CB 3.35Å; F896-V899 PolarHBondContact O-N 3.44Å; F896-V899 VanDerWaalsContact O-N 3.1Å; V899-K902 CarbonylContact O-C 3.59Å; V899-K902 PolarHBondContact O-N 2.84Å; V899-Y903 WeakPolarHBondContact O-CB 3.19Å; V899-Y903 PolarHBondContact O-N 3.03Å; V899-A927 HydrophobicContact CG1-CB 4.45Å; V899-Q928 HydrophobicContact CG1-CG 4Å; V899-V931 HydrophobicContact CB-CG2 4.46Å; V899-V931 HydrophobicContact CG2-CB 4.27Å; V899-V931 HydrophobicContact CG2-CG1 4.27Å; V899-V931 HydrophobicContact CG2-CG2 3.9Å
900	K	92.2	Very high	90.3	Very high	6 Å²	6	51 Å²	51	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-45	175.2	-70.3	-170.7	-62.7	174.3	0	112.5	D869 I875 Y880 F896 E897 N898 Y903 T904	D869-K900 IonicContact OD2-NZ 2.78Å; D869-K900 PolarHBondContact OD2-NZ 3.49Å; I875-K900 HydrophobicContact CD1-CB 4.46Å; I875-K900 HydrophobicContact CD1-CG 3.98Å; Y880-K900 HydrophobicContact CE2-CD 3.92Å; F896-K900 HydrophobicContact CD1-CD 4.46Å; F896-K900 HydrophobicContact CD1-CG 4.47Å; F896-K900 HydrophobicContact CE1-CD 4.04Å; F896-K900 HydrophobicContact CE1-CG 4.13Å; F896-K900 HydrophobicContact CZ-CG 4.3Å; F896-K900 PolarHBondContact O-N 3.09Å; E897-K900 PolarHBondContact O-N 3.4Å; E897-K900 WeakPolarHBondContact OE1-CE 3.48Å; E897-K900 IonicContact OE1-NZ 3.88Å; E897-K900 PolarHBondContact OE1-NZ 2.86Å; E897-K900 WeakPolarHBondContact OE2-CE 3.36Å; E897-K900 IonicContact OE2-NZ 2.65Å; E897-K900 PolarHBondContact OE2-NZ 3.45Å; N898-K900 VanDerWaalsContact C-N 3.34Å; N898-K900 PolarHBondContact O-N 3.14Å; K900-Y903 VanDerWaalsContact O-CB 3.22Å; K900-Y903 WeakPolarHBondContact O-CB 3.44Å; K900-Y903 PolarHBondContact O-N 3.45Å; K900-T904 PolarHBondContact O-N 3.4Å
901	R	93.2	Very high	91.1	Very high	167 Å²	167	47.6 Å²	47.6	63%	0.63	25%	0.253	S	S	*	.	H	α-helix	trans	-62.3	-43.8	175.6	-69.6	176.5	-176.5	177.1	1.1	112	E897 N898 Y903 T904 E905	E897-R901 WeakPolarHBondContact O-CG 3.08Å; E897-R901 PolarHBondContact O-N 2.81Å; E897-R901 VanDerWaalsContact O-N 3.13Å; N898-R901 PolarHBondContact O-N 3.46Å; R901-Y903 PolarHBondContact O-N 2.92Å; R901-T904 WeakPolarHBondContact O-CB 3.36Å; R901-T904 PolarHBondContact O-N 3.06Å; R901-E905 PolarHBondContact O-N 3.08Å
902	K	95.3	Very high	91.8	Very high	34 Å²	34	45.7 Å²	45.7	15%	0.148	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-24.3	175.4	-70.6	-45.9	-169	-171.6	0	113	N898 V899 E905 A906 A927 M930 V931 L935	N898-K902 WeakPolarHBondContact O-CB 3.33Å; N898-K902 WeakPolarHBondContact O-CG 3.39Å; N898-K902 PolarHBondContact O-N 2.77Å; V899-K902 CarbonylContact O-C 3.59Å; V899-K902 PolarHBondContact O-N 2.84Å; K902-E905 HydrophobicContact CD-CG 4.48Å; K902-E905 WeakPolarHBondContact CD-OE1 3.41Å; K902-E905 IonicContact NZ-OE1 2.7Å; K902-E905 PolarHBondContact NZ-OE1 2.97Å; K902-E905 IonicContact NZ-OE2 2.73Å; K902-E905 PolarHBondContact NZ-OE2 3.49Å; K902-E905 PolarHBondContact O-N 2.65Å; K902-A906 WeakPolarHBondContact O-CB 3.06Å; K902-A906 PolarHBondContact O-N 3.21Å; K902-A927 HydrophobicContact CB-CB 4.08Å; K902-M930 HydrophobicContact CB-CB 4.43Å; K902-M930 HydrophobicContact CD-CB 4.38Å; K902-M930 HydrophobicContact CD-CE 4Å; K902-M930 HydrophobicContact CG-CB 4.22Å; K902-V931 HydrophobicContact CB-CG2 3.94Å; K902-V931 HydrophobicContact CG-CG2 3.51Å; K902-L935 VanDerWaalsContact CE-O 3.27Å; K902-L935 WeakPolarHBondContact CE-O 3.4Å; K902-L935 PolarHBondContact NZ-O 3.35Å
903	Y	95.8	Very high	92.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-42.1	172.1	-162.3	-85.7	0	0	0	111.6	N873 I875 L883 V899 K900 R901 A906 N907 K915 S920 V923 G924 A927	N873-Y903 VanDerWaalsContact O-CD1 3.26Å; N873-Y903 WeakPolarHBondContact O-CD1 3.29Å; I875-Y903 HydrophobicContact CB-CE1 4.27Å; I875-Y903 HydrophobicContact CD1-CD1 4.18Å; I875-Y903 HydrophobicContact CD1-CD2 4.34Å; I875-Y903 HydrophobicContact CD1-CG 4.02Å; I875-Y903 HydrophobicContact CG1-CD1 3.4Å; I875-Y903 HydrophobicContact CG1-CD2 4.04Å; I875-Y903 HydrophobicContact CG1-CE1 3.46Å; I875-Y903 VanDerWaalsContact CG1-CE1 3.46Å; I875-Y903 HydrophobicContact CG1-CE2 4.15Å; I875-Y903 HydrophobicContact CG1-CG 3.69Å; L883-Y903 HydrophobicContact CD2-CD2 3.82Å; L883-Y903 HydrophobicContact CD2-CE2 4.17Å; V899-Y903 WeakPolarHBondContact O-CB 3.19Å; V899-Y903 PolarHBondContact O-N 3.03Å; K900-Y903 VanDerWaalsContact O-CB 3.22Å; K900-Y903 WeakPolarHBondContact O-CB 3.44Å; K900-Y903 PolarHBondContact O-N 3.45Å; R901-Y903 PolarHBondContact O-N 2.92Å; Y903-A906 PolarHBondContact O-N 3.39Å; Y903-N907 PolarHBondContact O-N 2.85Å; Y903-K915 HydrophobicContact CE1-CD 3.67Å; Y903-S920 WeakPolarHBondContact CE2-O 3.34Å; Y903-S920 WeakPolarHBondContact OH-CA 3.41Å; Y903-S920 PolarHBondContact OH-O 3.46Å; Y903-V923 HydrophobicContact CD1-CG1 3.68Å; Y903-V923 HydrophobicContact CD2-CB 4.32Å; Y903-V923 HydrophobicContact CD2-CG1 3.76Å; Y903-V923 HydrophobicContact CE1-CB 4.18Å; Y903-V923 HydrophobicContact CE1-CG1 3.62Å; Y903-V923 HydrophobicContact CE2-CB 3.75Å; Y903-V923 HydrophobicContact CE2-CG1 3.64Å; Y903-V923 HydrophobicContact CG-CG1 3.76Å; Y903-V923 WeakPolarHBondContact O-CG1 3.2Å; Y903-G924 VanDerWaalsContact CE2-N 3.32Å; Y903-A927 HydrophobicContact CD2-CB 4.24Å
904	T	95	Very high	93.1	Very high	46 Å²	46	44.7 Å²	44.7	28%	0.282	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-47.2	172.9	-50.3	0	0	0	0	111.5	E872 N873 K900 R901 A906 N907 Q908	E872-T904 PolarHBondContact O-OG1 3.48Å; N873-T904 WeakPolarHBondContact CA-OG1 3.07Å; K900-T904 PolarHBondContact O-N 3.4Å; R901-T904 WeakPolarHBondContact O-CB 3.36Å; R901-T904 PolarHBondContact O-N 3.06Å; T904-A906 PolarHBondContact O-N 3.13Å; T904-N907 PolarHBondContact O-N 2.88Å; T904-Q908 WeakPolarHBondContact O-CG 3.25Å; T904-Q908 PolarHBondContact O-N 3.28Å; T904-Q908 VanDerWaalsContact O-N 3.16Å
905	E	96	Very high	93.6	Very high	63 Å²	63	36.8 Å²	36.8	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-61.3	-43.5	176.4	-70.8	-179.1	-138.1	0	0	112.1	R901 K902 N907 Q908 L909 M930 A937	R901-E905 PolarHBondContact O-N 3.08Å; K902-E905 HydrophobicContact CD-CG 4.48Å; K902-E905 WeakPolarHBondContact CD-OE1 3.41Å; K902-E905 IonicContact NZ-OE1 2.7Å; K902-E905 PolarHBondContact NZ-OE1 2.97Å; K902-E905 IonicContact NZ-OE2 2.73Å; K902-E905 PolarHBondContact NZ-OE2 3.49Å; K902-E905 PolarHBondContact O-N 2.65Å; E905-N907 VanDerWaalsContact C-N 3.34Å; E905-N907 PolarHBondContact O-N 3.13Å; E905-Q908 PolarHBondContact O-N 3.5Å; E905-L909 WeakPolarHBondContact O-CG 3.47Å; E905-L909 PolarHBondContact O-N 2.65Å; E905-M930 HydrophobicContact CB-CE 4.14Å; E905-A937 HydrophobicContact CB-CB 4.44Å; E905-A937 PolarHBondContact OE2-N 3.01Å
906	A	96.3	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-40.8	177.5	0	0	0	0	0	111.6	K902 Y903 T904 Q908 L909 L910 V923 L926 A927 M930	K902-A906 WeakPolarHBondContact O-CB 3.06Å; K902-A906 PolarHBondContact O-N 3.21Å; Y903-A906 PolarHBondContact O-N 3.39Å; T904-A906 PolarHBondContact O-N 3.13Å; A906-Q908 VanDerWaalsContact C-N 3.33Å; A906-Q908 PolarHBondContact O-N 3.4Å; A906-L909 PolarHBondContact O-N 2.77Å; A906-L910 WeakPolarHBondContact O-CB 3.42Å; A906-L910 WeakPolarHBondContact O-CD1 3.24Å; A906-L910 VanDerWaalsContact O-CG 3.23Å; A906-L910 WeakPolarHBondContact O-CG 3.02Å; A906-L910 PolarHBondContact O-N 2.77Å; A906-V923 HydrophobicContact CB-CG1 3.87Å; A906-L926 HydrophobicContact CB-CB 4.06Å; A906-L926 HydrophobicContact CB-CD2 3.86Å; A906-L926 HydrophobicContact CB-CG 3.87Å; A906-A927 HydrophobicContact CB-CB 4.37Å; A906-M930 HydrophobicContact CB-SD 4.27Å
907	N	95.9	Very high	93.7	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-44.8	174.3	-179	49.7	0	0	0	111.4	Y903 T904 E905 L910 G911 D912 I913 K915 V923	Y903-N907 PolarHBondContact O-N 2.85Å; T904-N907 PolarHBondContact O-N 2.88Å; E905-N907 VanDerWaalsContact C-N 3.34Å; E905-N907 PolarHBondContact O-N 3.13Å; N907-L910 PolarHBondContact O-N 2.97Å; N907-G911 PolarHBondContact O-N 3.32Å; N907-D912 PolarHBondContact ND2-OD1 2.98Å; N907-D912 WeakPolarHBondContact O-CA 3.42Å; N907-D912 PolarHBondContact O-N 3.38Å; N907-I913 PolarHBondContact OD1-N 3.02Å; N907-I913 PolarHBondContact OD1-O 3.37Å; N907-K915 HydrophobicContact CB-CD 4.11Å; N907-K915 PolarHBondContact ND2-NZ 2.83Å; N907-K915 PolarHBondContact OD1-NZ 3.18Å; N907-V923 HydrophobicContact CB-CG1 4.24Å
908	Q	94.8	Very high	93.5	Very high	112 Å²	112	30.9 Å²	30.9	52%	0.523	16%	0.155	S	C	.	.	H	α-helix	trans	-64.8	-42.9	177.5	-66.3	-59.9	-33.8	0	0	112	T904 E905 A906 L910 G911	T904-Q908 WeakPolarHBondContact O-CG 3.25Å; T904-Q908 PolarHBondContact O-N 3.28Å; T904-Q908 VanDerWaalsContact O-N 3.16Å; E905-Q908 PolarHBondContact O-N 3.5Å; A906-Q908 VanDerWaalsContact C-N 3.33Å; A906-Q908 PolarHBondContact O-N 3.4Å; Q908-L910 PolarHBondContact O-N 2.75Å; Q908-G911 PolarHBondContact O-N 2.85Å
909	L	95.5	Very high	93.5	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.068	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-34.4	174.7	-75.7	171.5	0	0	0	112.9	E905 A906 G911 L926 M930 A937 V940 L941 P969 L972	E905-L909 WeakPolarHBondContact O-CG 3.47Å; E905-L909 PolarHBondContact O-N 2.65Å; A906-L909 PolarHBondContact O-N 2.77Å; L909-G911 PolarHBondContact O-N 2.71Å; L909-L926 HydrophobicContact CB-CD2 4.49Å; L909-L926 HydrophobicContact CD1-CD2 4.48Å; L909-M930 HydrophobicContact CD1-CE 3.87Å; L909-M930 HydrophobicContact CD1-SD 3.86Å; L909-A937 HydrophobicContact CD1-CB 4.16Å; L909-A937 HydrophobicContact CD2-CB 4.11Å; L909-A937 HydrophobicContact CG-CB 4.16Å; L909-V940 HydrophobicContact CD1-CB 4.03Å; L909-V940 HydrophobicContact CD1-CG1 3.99Å; L909-V940 HydrophobicContact CD1-CG2 4.25Å; L909-L941 HydrophobicContact CD2-CD1 4.21Å; L909-L941 HydrophobicContact CD2-CD2 3.79Å; L909-L941 HydrophobicContact CD2-CG 3.74Å; L909-P969 VanDerWaalsContact O-CG 3.25Å; L909-P969 WeakPolarHBondContact O-CG 3.49Å; L909-L972 HydrophobicContact CB-CD2 4.45Å; L909-L972 VanDerWaalsContact O-CD2 3.26Å; L909-L972 WeakPolarHBondContact O-CD2 3.37Å
910	L	95.3	Very high	93.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.8	178.2	-64.9	168	0	0	0	112.9	A906 N907 Q908 I913 I922 V923 L926 V953 F956 F957	A906-L910 WeakPolarHBondContact O-CB 3.42Å; A906-L910 WeakPolarHBondContact O-CD1 3.24Å; A906-L910 VanDerWaalsContact O-CG 3.23Å; A906-L910 WeakPolarHBondContact O-CG 3.02Å; A906-L910 PolarHBondContact O-N 2.77Å; N907-L910 PolarHBondContact O-N 2.97Å; Q908-L910 PolarHBondContact O-N 2.75Å; L910-I913 HydrophobicContact CB-CD1 4.3Å; L910-I913 HydrophobicContact CB-CG2 4.47Å; L910-I913 HydrophobicContact CD1-CD1 4.43Å; L910-I913 VanDerWaalsContact O-CG2 3.29Å; L910-I913 WeakPolarHBondContact O-CG2 3.49Å; L910-I922 HydrophobicContact CD1-CG2 4.17Å; L910-V923 HydrophobicContact CD1-CB 4.39Å; L910-V923 HydrophobicContact CD1-CG2 3.77Å; L910-L926 HydrophobicContact CD1-CD2 3.98Å; L910-L926 HydrophobicContact CD2-CD2 4.1Å; L910-L926 HydrophobicContact CG-CD2 3.9Å; L910-V953 HydrophobicContact CD2-CG1 4.44Å; L910-F956 HydrophobicContact CB-CE1 4.21Å; L910-F956 HydrophobicContact CD2-CD1 3.76Å; L910-F956 HydrophobicContact CD2-CE1 3.67Å; L910-F956 HydrophobicContact CG-CE1 4.48Å; L910-F957 HydrophobicContact CD2-CE2 3.58Å; L910-F957 HydrophobicContact CD2-CZ 3.68Å
911	G	93.9	Very high	93.2	Very high	23 Å²	23	31.5 Å²	31.5	24%	0.237	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	24	173.6	0	0	0	0	0	114.8	K726 N907 Q908 L909	K726-G911 PolarHBondContact NZ-O 2.54Å; N907-G911 PolarHBondContact O-N 3.32Å; Q908-G911 PolarHBondContact O-N 2.85Å; L909-G911 PolarHBondContact O-N 2.71Å
912	D	94.4	Very high	93.2	Very high	27 Å²	27	23.9 Å²	23.9	14%	0.144	13%	0.126	C	C	.	.	S	Bend	trans	54.2	80.8	-172.9	-171.7	29.9	0	0	0	112	K726 Y727 N907	K726-D912 HydrophobicContact CD-CB 4.31Å; K726-D912 PolarHBondContact NZ-O 3.27Å; Y727-D912 WeakPolarHBondContact CE2-O 3.26Å; Y727-D912 PolarHBondContact OH-O 2.85Å; N907-D912 PolarHBondContact ND2-OD1 2.98Å; N907-D912 WeakPolarHBondContact O-CA 3.42Å; N907-D912 PolarHBondContact O-N 3.38Å
913	I	95.3	Very high	93.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.119	C	C	.	.			trans	-102.6	164.2	-171.5	65.6	172.5	0	0	0	112.1	L689 Y727 N907 L910 K915 V923 F956 P964	L689-I913 HydrophobicContact CD2-CB 4.34Å; L689-I913 HydrophobicContact CD2-CD1 4.37Å; Y727-I913 WeakPolarHBondContact OH-CA 3.12Å; N907-I913 PolarHBondContact OD1-N 3.02Å; N907-I913 PolarHBondContact OD1-O 3.37Å; L910-I913 HydrophobicContact CB-CD1 4.3Å; L910-I913 HydrophobicContact CB-CG2 4.47Å; L910-I913 HydrophobicContact CD1-CD1 4.43Å; L910-I913 VanDerWaalsContact O-CG2 3.29Å; L910-I913 WeakPolarHBondContact O-CG2 3.49Å; I913-K915 HydrophobicContact CG1-CG 4.16Å; I913-K915 PolarHBondContact O-NZ 3.35Å; I913-K915 VanDerWaalsContact O-NZ 3.14Å; I913-V923 HydrophobicContact CD1-CG2 3.94Å; I913-V923 HydrophobicContact CG1-CG2 4.26Å; I913-F956 HydrophobicContact CD1-CE2 4.31Å; I913-F956 HydrophobicContact CD1-CZ 4.34Å; I913-F956 HydrophobicContact CG2-CZ 4.13Å; I913-P964 HydrophobicContact CG2-CB 3.91Å
914	I	95.2	Very high	93.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.119	C	C	.	.			trans	-70.2	132.8	163.8	-67.7	165.2	0	0	0	108.2	S688 N690 C714 Y727 Y731 M752 V916 S919	S688-I914 WeakPolarHBondContact O-CG2 3.1Å; N690-I914 HydrophobicContact CB-CD1 3.59Å; N690-I914 WeakPolarHBondContact ND2-CD1 3.24Å; C714-I914 HydrophobicContact CB-CG2 3.57Å; Y727-I914 HydrophobicContact CE1-CD1 4.16Å; Y727-I914 HydrophobicContact CE1-CG1 3.97Å; Y727-I914 PolarHBondContact OH-N 3.21Å; Y731-I914 VanDerWaalsContact OH-CD1 3.29Å; Y731-I914 WeakPolarHBondContact OH-CD1 3.5Å; M752-I914 HydrophobicContact CE-CG2 3.93Å; I914-V916 HydrophobicContact CG2-CG1 4.27Å; I914-S919 WeakPolarHBondContact O-CB 3.48Å; I914-S919 PolarHBondContact O-OG 2.85Å
915	K	94.2	Very high	93	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.113	C	C	.	.			trans	-117.1	97.2	-172.2	-64.5	173.1	-64.5	-67.5	0	109.2	M752 Q874 P876 Y903 N907 I913 S919 V923	M752-K915 WeakPolarHBondContact CE-O 3.5Å; M752-K915 WeakPolarHBondContact CG-O 3.33Å; Q874-K915 VanDerWaalsContact O-CE 3.23Å; Q874-K915 WeakPolarHBondContact O-CE 3.27Å; P876-K915 HydrophobicContact CG-CB 4.44Å; P876-K915 WeakPolarHBondContact CG-O 3.26Å; Y903-K915 HydrophobicContact CE1-CD 3.67Å; N907-K915 HydrophobicContact CB-CD 4.11Å; N907-K915 PolarHBondContact ND2-NZ 2.83Å; N907-K915 PolarHBondContact OD1-NZ 3.18Å; I913-K915 HydrophobicContact CG1-CG 4.16Å; I913-K915 PolarHBondContact O-NZ 3.35Å; I913-K915 VanDerWaalsContact O-NZ 3.14Å; K915-S919 WeakPolarHBondContact CA-OG 3.45Å; K915-V923 HydrophobicContact CD-CG1 4.41Å; K915-V923 HydrophobicContact CD-CG2 4.04Å; K915-V923 HydrophobicContact CG-CG2 3.96Å
916	V	90.5	Very high	93	Very high	9 Å²	9	18.6 Å²	18.6	6%	0.055	10%	0.1	C	C	.	.			trans	-152.2	155.2	172.8	64.1	0	0	0	0	107.3	F686 S688 M752 I914 P918 S919 S920	F686-V916 HydrophobicContact CD2-CG1 4.01Å; F686-V916 HydrophobicContact CD2-CG2 4.38Å; F686-V916 HydrophobicContact CE2-CB 4.44Å; F686-V916 HydrophobicContact CE2-CG1 3.75Å; F686-V916 HydrophobicContact CE2-CG2 3.8Å; S688-V916 VanDerWaalsContact CA-CG1 3.46Å; M752-V916 HydrophobicContact CB-CB 4.4Å; M752-V916 HydrophobicContact CB-CG2 4.05Å; M752-V916 HydrophobicContact CG-CB 3.92Å; M752-V916 HydrophobicContact CG-CG2 4.13Å; M752-V916 HydrophobicContact SD-CB 4.3Å; I914-V916 HydrophobicContact CG2-CG1 4.27Å; V916-P918 CarbonylContact O-C 3.55Å; V916-S919 PolarHBondContact N-OG 2.79Å; V916-S919 PolarHBondContact O-N 3.24Å; V916-S919 PolarHBondContact O-OG 2.96Å; V916-S920 PolarHBondContact O-N 3.1Å
917	T	84.9	Confident	92.9	Very high	53 Å²	53	18.6 Å²	18.6	33%	0.325	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	125.3	-171.2	-56.3	0	0	0	0	112.6	Y660 S920	Y660-T917 HydrophobicContact CE1-CG2 4.42Å; T917-S920 PolarHBondContact N-OG 2.86Å
918	P	85.2	Confident	92.8	Very high	14 Å²	14	18.8 Å²	18.8	9%	0.091	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.7	-6.7	9.9	36.5	-32.6	0	0	0	116.2	V916 S920 K921 I922 I961	V916-P918 CarbonylContact O-C 3.55Å; P918-S920 VanDerWaalsContact C-N 3.3Å; P918-S920 PolarHBondContact O-N 3.2Å; P918-K921 WeakPolarHBondContact O-CB 3.38Å; P918-K921 PolarHBondContact O-N 2.84Å; P918-I922 PolarHBondContact O-N 2.84Å; P918-I961 HydrophobicContact CG-CG2 4.25Å
919	S	91.4	Very high	92.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.4	-36.3	-178.7	66	0	0	0	0	113.1	S688 I914 K915 V916 K921 I922 V923	S688-S919 PolarHBondContact O-OG 3.11Å; S688-S919 VanDerWaalsContact O-OG 3.06Å; I914-S919 WeakPolarHBondContact O-CB 3.48Å; I914-S919 PolarHBondContact O-OG 2.85Å; K915-S919 WeakPolarHBondContact CA-OG 3.45Å; V916-S919 PolarHBondContact N-OG 2.79Å; V916-S919 PolarHBondContact O-N 3.24Å; V916-S919 PolarHBondContact O-OG 2.96Å; S919-K921 PolarHBondContact O-N 3.24Å; S919-I922 WeakPolarHBondContact O-CB 3.46Å; S919-I922 PolarHBondContact O-N 2.71Å; S919-I922 VanDerWaalsContact O-N 3.14Å; S919-V923 WeakPolarHBondContact O-CG2 3.34Å; S919-V923 PolarHBondContact O-N 3.05Å; S919-V923 VanDerWaalsContact O-N 3.12Å
920	S	91.5	Very high	92.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-32.2	175	63.2	0	0	0	0	113.4	Y903 V916 T917 P918 G924	Y903-S920 WeakPolarHBondContact CE2-O 3.34Å; Y903-S920 WeakPolarHBondContact OH-CA 3.41Å; Y903-S920 PolarHBondContact OH-O 3.46Å; V916-S920 PolarHBondContact O-N 3.1Å; T917-S920 PolarHBondContact N-OG 2.86Å; P918-S920 VanDerWaalsContact C-N 3.3Å; P918-S920 PolarHBondContact O-N 3.2Å; S920-G924 PolarHBondContact O-N 2.86Å
921	K	88.4	Confident	92.7	Very high	94 Å²	94	14.8 Å²	14.8	41%	0.409	8%	0.082	S	C	.	.	H	α-helix	trans	-72	-42.4	174.9	177.6	-175.4	172.4	176.2	0	110.5	P918 S919 V923 G924 D925	P918-K921 WeakPolarHBondContact O-CB 3.38Å; P918-K921 PolarHBondContact O-N 2.84Å; S919-K921 PolarHBondContact O-N 3.24Å; K921-V923 VanDerWaalsContact C-N 3.3Å; K921-V923 PolarHBondContact O-N 3.15Å; K921-G924 CarbonylContact O-C 3.46Å; K921-G924 WeakPolarHBondContact O-CA 3.45Å; K921-G924 PolarHBondContact O-N 3Å; K921-D925 WeakPolarHBondContact CE-OD2 3.48Å; K921-D925 PolarHBondContact O-N 3.02Å
922	I	92.6	Very high	92.5	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.031	10%	0.098	C	C	.	.	H	α-helix	trans	-57.7	-44.5	178.3	-68	155.9	0	0	0	111.1	L910 P918 S919 G924 D925 L926 V953 F956 I961	L910-I922 HydrophobicContact CD1-CG2 4.17Å; P918-I922 PolarHBondContact O-N 2.84Å; S919-I922 WeakPolarHBondContact O-CB 3.46Å; S919-I922 PolarHBondContact O-N 2.71Å; S919-I922 VanDerWaalsContact O-N 3.14Å; I922-G924 VanDerWaalsContact C-N 3.32Å; I922-G924 PolarHBondContact O-N 2.88Å; I922-D925 PolarHBondContact O-N 3.26Å; I922-L926 PolarHBondContact O-N 2.86Å; I922-V953 HydrophobicContact CG2-CG2 4.06Å; I922-F956 HydrophobicContact CD1-CB 3.88Å; I922-F956 HydrophobicContact CG2-CB 3.95Å; I922-F956 HydrophobicContact CG2-CG 4.3Å; I922-I961 HydrophobicContact CD1-CD1 3.49Å; I922-I961 VanDerWaalsContact CD1-CD1 3.49Å
923	V	95.7	Very high	92.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-41	173.7	-175.9	0	0	0	0	111.1	Y903 A906 N907 L910 I913 K915 S919 K921 L926 A927	Y903-V923 HydrophobicContact CD1-CG1 3.68Å; Y903-V923 HydrophobicContact CD2-CB 4.32Å; Y903-V923 HydrophobicContact CD2-CG1 3.76Å; Y903-V923 HydrophobicContact CE1-CB 4.18Å; Y903-V923 HydrophobicContact CE1-CG1 3.62Å; Y903-V923 HydrophobicContact CE2-CB 3.75Å; Y903-V923 HydrophobicContact CE2-CG1 3.64Å; Y903-V923 HydrophobicContact CG-CG1 3.76Å; Y903-V923 WeakPolarHBondContact O-CG1 3.2Å; A906-V923 HydrophobicContact CB-CG1 3.87Å; N907-V923 HydrophobicContact CB-CG1 4.24Å; L910-V923 HydrophobicContact CD1-CB 4.39Å; L910-V923 HydrophobicContact CD1-CG2 3.77Å; I913-V923 HydrophobicContact CD1-CG2 3.94Å; I913-V923 HydrophobicContact CG1-CG2 4.26Å; K915-V923 HydrophobicContact CD-CG1 4.41Å; K915-V923 HydrophobicContact CD-CG2 4.04Å; K915-V923 HydrophobicContact CG-CG2 3.96Å; S919-V923 WeakPolarHBondContact O-CG2 3.34Å; S919-V923 PolarHBondContact O-N 3.05Å; S919-V923 VanDerWaalsContact O-N 3.12Å; K921-V923 VanDerWaalsContact C-N 3.3Å; K921-V923 PolarHBondContact O-N 3.15Å; V923-L926 PolarHBondContact O-N 3.24Å; V923-A927 WeakPolarHBondContact O-CB 3.36Å; V923-A927 PolarHBondContact O-N 3.41Å
924	G	93.2	Very high	92.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-39.4	178.6	0	0	0	0	0	114.1	Y903 S920 K921 I922 A927 Q928	Y903-G924 VanDerWaalsContact CE2-N 3.32Å; S920-G924 PolarHBondContact O-N 2.86Å; K921-G924 CarbonylContact O-C 3.46Å; K921-G924 WeakPolarHBondContact O-CA 3.45Å; K921-G924 PolarHBondContact O-N 3Å; I922-G924 VanDerWaalsContact C-N 3.32Å; I922-G924 PolarHBondContact O-N 2.88Å; G924-A927 PolarHBondContact O-N 3.39Å; G924-Q928 WeakPolarHBondContact O-CB 3.35Å; G924-Q928 WeakPolarHBondContact O-CG 3.44Å; G924-Q928 PolarHBondContact O-N 2.87Å; G924-Q928 PolarHBondContact O-NE2 2.83Å
925	D	92.7	Very high	92.2	Very high	30 Å²	30	25.3 Å²	25.3	16%	0.16	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-43.4	175.9	-67.9	-14.2	0	0	0	110	K921 I922 F929 P950 S952	K921-D925 WeakPolarHBondContact CE-OD2 3.48Å; K921-D925 PolarHBondContact O-N 3.02Å; I922-D925 PolarHBondContact O-N 3.26Å; D925-F929 VanDerWaalsContact O-CB 3.23Å; D925-F929 WeakPolarHBondContact O-CB 3.33Å; D925-F929 PolarHBondContact O-N 2.91Å; D925-P950 HydrophobicContact CB-CB 3.98Å; D925-P950 HydrophobicContact CB-CG 4.16Å; D925-S952 WeakPolarHBondContact OD2-CB 3.47Å; D925-S952 PolarHBondContact OD2-OG 2.92Å
926	L	95.3	Very high	92.2	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-41.7	175	-176.9	57.4	0	0	0	111.7	A906 L909 L910 I922 V923 F929 M930 F949 V953	A906-L926 HydrophobicContact CB-CB 4.06Å; A906-L926 HydrophobicContact CB-CD2 3.86Å; A906-L926 HydrophobicContact CB-CG 3.87Å; L909-L926 HydrophobicContact CB-CD2 4.49Å; L909-L926 HydrophobicContact CD1-CD2 4.48Å; L910-L926 HydrophobicContact CD1-CD2 3.98Å; L910-L926 HydrophobicContact CD2-CD2 4.1Å; L910-L926 HydrophobicContact CG-CD2 3.9Å; I922-L926 PolarHBondContact O-N 2.86Å; V923-L926 PolarHBondContact O-N 3.24Å; L926-F929 HydrophobicContact CD1-CD1 4.29Å; L926-F929 WeakPolarHBondContact O-CB 3.41Å; L926-F929 PolarHBondContact O-N 3.46Å; L926-M930 HydrophobicContact CD1-CG 4.33Å; L926-M930 HydrophobicContact CG-SD 4.17Å; L926-M930 WeakPolarHBondContact O-CB 3.32Å; L926-M930 VanDerWaalsContact O-CG 3.23Å; L926-M930 WeakPolarHBondContact O-CG 3.44Å; L926-M930 PolarHBondContact O-N 3.01Å; L926-F949 HydrophobicContact CD1-CD1 4.03Å; L926-F949 HydrophobicContact CD1-CE1 4.09Å; L926-V953 HydrophobicContact CB-CG2 3.95Å
927	A	95.5	Very high	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-48.3	177.6	0	0	0	0	0	112.2	V899 K902 Y903 A906 V923 G924 F929 M930 V931	V899-A927 HydrophobicContact CG1-CB 4.45Å; K902-A927 HydrophobicContact CB-CB 4.08Å; Y903-A927 HydrophobicContact CD2-CB 4.24Å; A906-A927 HydrophobicContact CB-CB 4.37Å; V923-A927 WeakPolarHBondContact O-CB 3.36Å; V923-A927 PolarHBondContact O-N 3.41Å; G924-A927 PolarHBondContact O-N 3.39Å; A927-F929 VanDerWaalsContact C-N 3.33Å; A927-F929 PolarHBondContact O-N 2.96Å; A927-M930 PolarHBondContact O-N 2.71Å; A927-V931 WeakPolarHBondContact O-CG2 3.31Å; A927-V931 PolarHBondContact O-N 2.81Å
928	Q	92.9	Very high	92.8	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-41.6	175.8	-73.2	172.9	100.6	0	0	111.2	L883 L892 V899 G924 M930 V931 Q932	L883-Q928 HydrophobicContact CD1-CG 3.96Å; L892-Q928 HydrophobicContact CD1-CB 4.33Å; V899-Q928 HydrophobicContact CG1-CG 4Å; G924-Q928 WeakPolarHBondContact O-CB 3.35Å; G924-Q928 WeakPolarHBondContact O-CG 3.44Å; G924-Q928 PolarHBondContact O-N 2.87Å; G924-Q928 PolarHBondContact O-NE2 2.83Å; Q928-M930 PolarHBondContact O-N 3.44Å; Q928-V931 PolarHBondContact O-N 2.79Å; Q928-Q932 VanDerWaalsContact O-CB 3.27Å; Q928-Q932 WeakPolarHBondContact O-CB 3.44Å; Q928-Q932 PolarHBondContact O-N 2.78Å
929	F	94	Very high	93.2	Very high	25 Å²	25	34.6 Å²	34.6	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-44.2	174.7	174.4	-97.3	0	0	0	112.1	D925 L926 A927 N933 L935 L947 S948 F949 P950	D925-F929 VanDerWaalsContact O-CB 3.23Å; D925-F929 WeakPolarHBondContact O-CB 3.33Å; D925-F929 PolarHBondContact O-N 2.91Å; L926-F929 HydrophobicContact CD1-CD1 4.29Å; L926-F929 WeakPolarHBondContact O-CB 3.41Å; L926-F929 PolarHBondContact O-N 3.46Å; A927-F929 VanDerWaalsContact C-N 3.33Å; A927-F929 PolarHBondContact O-N 2.96Å; F929-N933 VanDerWaalsContact CD2-ND2 3.34Å; F929-N933 WeakPolarHBondContact CD2-ND2 3.36Å; F929-N933 WeakPolarHBondContact CE2-ND2 3.26Å; F929-N933 WeakPolarHBondContact O-CB 3.13Å; F929-N933 PolarHBondContact O-N 3.26Å; F929-N933 VanDerWaalsContact O-N 3.08Å; F929-N933 PolarHBondContact O-ND2 3.13Å; F929-L935 HydrophobicContact CD1-CD1 4.08Å; F929-L935 HydrophobicContact CE1-CD1 3.5Å; F929-L935 VanDerWaalsContact CE1-CD1 3.5Å; F929-L935 HydrophobicContact CZ-CD1 4.16Å; F929-L947 HydrophobicContact CZ-CB 4.33Å; F929-L947 HydrophobicContact CZ-CD2 4.38Å; F929-S948 WeakPolarHBondContact CE2-O 3.39Å; F929-F949 HydrophobicContact CE1-CD1 4.46Å; F929-P950 HydrophobicContact CB-CG 3.93Å; F929-P950 HydrophobicContact CD2-CG 4.39Å; F929-P950 HydrophobicContact CG-CG 4.24Å
930	M	95.5	Very high	93.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-42.6	176.7	-71.7	171.8	76.3	0	0	111.8	K902 E905 A906 L909 L926 A927 Q928 G934 L935 A937 V940	K902-M930 HydrophobicContact CB-CB 4.43Å; K902-M930 HydrophobicContact CD-CB 4.38Å; K902-M930 HydrophobicContact CD-CE 4Å; K902-M930 HydrophobicContact CG-CB 4.22Å; E905-M930 HydrophobicContact CB-CE 4.14Å; A906-M930 HydrophobicContact CB-SD 4.27Å; L909-M930 HydrophobicContact CD1-CE 3.87Å; L909-M930 HydrophobicContact CD1-SD 3.86Å; L926-M930 HydrophobicContact CD1-CG 4.33Å; L926-M930 HydrophobicContact CG-SD 4.17Å; L926-M930 WeakPolarHBondContact O-CB 3.32Å; L926-M930 VanDerWaalsContact O-CG 3.23Å; L926-M930 WeakPolarHBondContact O-CG 3.44Å; L926-M930 PolarHBondContact O-N 3.01Å; A927-M930 PolarHBondContact O-N 2.71Å; Q928-M930 PolarHBondContact O-N 3.44Å; M930-G934 PolarHBondContact O-N 2.88Å; M930-L935 HydrophobicContact CB-CB 4.41Å; M930-L935 HydrophobicContact CG-CB 4.45Å; M930-L935 PolarHBondContact O-N 2.71Å; M930-A937 HydrophobicContact CE-CB 4.4Å; M930-V940 HydrophobicContact CE-CG2 4.13Å; M930-V940 HydrophobicContact CG-CG2 3.98Å; M930-V940 HydrophobicContact SD-CG2 4.35Å
931	V	93.5	Very high	93.4	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.097	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-49.9	177	174	0	0	0	0	111.1	L892 Q895 N898 V899 K902 A927 Q928 N933 G934	L892-V931 HydrophobicContact CD1-CG1 4.49Å; L892-V931 HydrophobicContact CD2-CG1 4.17Å; Q895-V931 HydrophobicContact CB-CG1 4.15Å; N898-V931 HydrophobicContact CB-CG2 4.25Å; V899-V931 HydrophobicContact CB-CG2 4.46Å; V899-V931 HydrophobicContact CG2-CB 4.27Å; V899-V931 HydrophobicContact CG2-CG1 4.27Å; V899-V931 HydrophobicContact CG2-CG2 3.9Å; K902-V931 HydrophobicContact CB-CG2 3.94Å; K902-V931 HydrophobicContact CG-CG2 3.51Å; A927-V931 WeakPolarHBondContact O-CG2 3.31Å; A927-V931 PolarHBondContact O-N 2.81Å; Q928-V931 PolarHBondContact O-N 2.79Å; V931-N933 PolarHBondContact O-N 2.98Å; V931-G934 PolarHBondContact O-N 3.49Å; V931-G934 VanDerWaalsContact O-N 3.13Å
932	Q	91.6	Very high	93.5	Very high	121 Å²	121	38.1 Å²	38.1	57%	0.565	21%	0.213	S	C	*	.	H	α-helix	trans	-59.2	-33.9	-178.1	-171.7	176.9	9.9	0	0	112.6	L892 Q928	L892-Q932 HydrophobicContact CD1-CB 4.34Å; Q928-Q932 VanDerWaalsContact O-CB 3.27Å; Q928-Q932 WeakPolarHBondContact O-CB 3.44Å; Q928-Q932 PolarHBondContact O-N 2.78Å
933	N	91.5	Very high	93.5	Very high	85 Å²	85	42.9 Å²	42.9	46%	0.455	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	5.3	-178.6	-66	-83.3	0	0	0	113.6	F929 V931 L935	F929-N933 VanDerWaalsContact CD2-ND2 3.34Å; F929-N933 WeakPolarHBondContact CD2-ND2 3.36Å; F929-N933 WeakPolarHBondContact CE2-ND2 3.26Å; F929-N933 WeakPolarHBondContact O-CB 3.13Å; F929-N933 PolarHBondContact O-N 3.26Å; F929-N933 VanDerWaalsContact O-N 3.08Å; F929-N933 PolarHBondContact O-ND2 3.13Å; V931-N933 PolarHBondContact O-N 2.98Å; N933-L935 VanDerWaalsContact C-N 3.27Å; N933-L935 HydrophobicContact CB-CD1 3.78Å; N933-L935 HydrophobicContact CB-CD2 4.48Å; N933-L935 HydrophobicContact CB-CG 3.72Å; N933-L935 PolarHBondContact O-N 3.16Å
934	G	92.2	Very high	93.2	Very high	62 Å²	62	42.9 Å²	42.9	64%	0.639	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	32.4	-179.5	0	0	0	0	0	114.3	M930 V931	M930-G934 PolarHBondContact O-N 2.88Å; V931-G934 PolarHBondContact O-N 3.49Å; V931-G934 VanDerWaalsContact O-N 3.13Å
935	L	93.8	Very high	93	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	26%	0.259	C	S	.	.			trans	-89.4	135.2	-173.4	-59.9	171.2	0	0	0	112.2	K902 F929 M930 N933 Q939 V940 L947	K902-L935 VanDerWaalsContact CE-O 3.27Å; K902-L935 WeakPolarHBondContact CE-O 3.4Å; K902-L935 PolarHBondContact NZ-O 3.35Å; F929-L935 HydrophobicContact CD1-CD1 4.08Å; F929-L935 HydrophobicContact CE1-CD1 3.5Å; F929-L935 VanDerWaalsContact CE1-CD1 3.5Å; F929-L935 HydrophobicContact CZ-CD1 4.16Å; M930-L935 HydrophobicContact CB-CB 4.41Å; M930-L935 HydrophobicContact CG-CB 4.45Å; M930-L935 PolarHBondContact O-N 2.71Å; N933-L935 VanDerWaalsContact C-N 3.27Å; N933-L935 HydrophobicContact CB-CD1 3.78Å; N933-L935 HydrophobicContact CB-CD2 4.48Å; N933-L935 HydrophobicContact CB-CG 3.72Å; N933-L935 PolarHBondContact O-N 3.16Å; L935-Q939 HydrophobicContact CD2-CB 4.39Å; L935-V940 HydrophobicContact CB-CG2 4.07Å; L935-V940 HydrophobicContact CD1-CG2 4.25Å; L935-L947 HydrophobicContact CD1-CD1 3.9Å; L935-L947 HydrophobicContact CD1-CD2 4.09Å; L935-L947 HydrophobicContact CD2-CD2 4.41Å
936	T	94.6	Very high	92.8	Very high	63 Å²	63	53.7 Å²	53.7	39%	0.387	28%	0.281	S	S	.	.			trans	-85.3	159.4	163.8	71	0	0	0	0	111	Q938 Q939 V940	T936-Q938 VanDerWaalsContact C-N 3.26Å; T936-Q938 PolarHBondContact O-N 3.38Å; T936-Q939 PolarHBondContact O-N 2.93Å; T936-Q939 VanDerWaalsContact O-N 3.11Å; T936-Q939 WeakPolarHBondContact OG1-CG 3.41Å; T936-Q939 PolarHBondContact OG1-N 2.88Å; T936-Q939 PolarHBondContact OG1-OE1 2.7Å; T936-V940 PolarHBondContact O-N 2.96Å
937	A	93.7	Very high	92.6	Very high	26 Å²	26	54.4 Å²	54.4	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-54.4	-41.5	174.6	0	0	0	0	0	113	E905 L909 M930 Q939 V940 L941	E905-A937 HydrophobicContact CB-CB 4.44Å; E905-A937 PolarHBondContact OE2-N 3.01Å; L909-A937 HydrophobicContact CD1-CB 4.16Å; L909-A937 HydrophobicContact CD2-CB 4.11Å; L909-A937 HydrophobicContact CG-CB 4.16Å; M930-A937 HydrophobicContact CE-CB 4.4Å; A937-Q939 PolarHBondContact O-N 2.75Å; A937-V940 WeakPolarHBondContact O-CB 3.27Å; A937-V940 PolarHBondContact O-N 3.02Å; A937-L941 PolarHBondContact O-N 2.99Å; A937-L941 VanDerWaalsContact O-N 3.16Å
938	Q	94.2	Very high	92.4	Very high	109 Å²	109	59 Å²	59	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-42.4	176.6	-170.4	60.5	49.7	0	0	111.9	T936 V940 L941 D942	T936-Q938 VanDerWaalsContact C-N 3.26Å; T936-Q938 PolarHBondContact O-N 3.38Å; Q938-V940 VanDerWaalsContact C-N 3.28Å; Q938-V940 PolarHBondContact O-N 3.37Å; Q938-L941 WeakPolarHBondContact O-CB 3.34Å; Q938-L941 PolarHBondContact O-N 3.23Å; Q938-L941 VanDerWaalsContact O-N 3.14Å; Q938-D942 PolarHBondContact NE2-OD1 3.26Å; Q938-D942 WeakPolarHBondContact O-CB 3.43Å; Q938-D942 PolarHBondContact O-N 3.34Å
939	Q	94	Very high	92.3	Very high	75 Å²	75	59.4 Å²	59.4	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-63.9	-33.2	176.7	-73.4	170.7	-30.3	0	0	112.7	L935 T936 A937 R943	L935-Q939 HydrophobicContact CD2-CB 4.39Å; T936-Q939 PolarHBondContact O-N 2.93Å; T936-Q939 VanDerWaalsContact O-N 3.11Å; T936-Q939 WeakPolarHBondContact OG1-CG 3.41Å; T936-Q939 PolarHBondContact OG1-N 2.88Å; T936-Q939 PolarHBondContact OG1-OE1 2.7Å; A937-Q939 PolarHBondContact O-N 2.75Å; Q939-R943 VanDerWaalsContact O-CB 3.3Å; Q939-R943 WeakPolarHBondContact O-CB 3Å; Q939-R943 PolarHBondContact O-N 3.04Å
940	V	93.7	Very high	92.2	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-43.6	173.2	175	0	0	0	0	110.7	L909 M930 L935 T936 A937 Q938 A944 F949	L909-V940 HydrophobicContact CD1-CB 4.03Å; L909-V940 HydrophobicContact CD1-CG1 3.99Å; L909-V940 HydrophobicContact CD1-CG2 4.25Å; M930-V940 HydrophobicContact CE-CG2 4.13Å; M930-V940 HydrophobicContact CG-CG2 3.98Å; M930-V940 HydrophobicContact SD-CG2 4.35Å; L935-V940 HydrophobicContact CB-CG2 4.07Å; L935-V940 HydrophobicContact CD1-CG2 4.25Å; T936-V940 PolarHBondContact O-N 2.96Å; A937-V940 WeakPolarHBondContact O-CB 3.27Å; A937-V940 PolarHBondContact O-N 3.02Å; Q938-V940 VanDerWaalsContact C-N 3.28Å; Q938-V940 PolarHBondContact O-N 3.37Å; V940-A944 WeakPolarHBondContact O-CA 3.21Å; V940-A944 WeakPolarHBondContact O-CB 3.4Å; V940-A944 PolarHBondContact O-N 2.76Å; V940-A944 VanDerWaalsContact O-N 3.11Å; V940-F949 HydrophobicContact CG1-CE1 3.78Å; V940-F949 HydrophobicContact CG1-CZ 3.91Å
941	L	92.9	Very high	91.9	Very high	65 Å²	65	63.6 Å²	63.6	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-43.1	177.9	-66.4	172.7	0	0	0	112.7	L909 A937 Q938 L972 K975	L909-L941 HydrophobicContact CD2-CD1 4.21Å; L909-L941 HydrophobicContact CD2-CD2 3.79Å; L909-L941 HydrophobicContact CD2-CG 3.74Å; A937-L941 PolarHBondContact O-N 2.99Å; A937-L941 VanDerWaalsContact O-N 3.16Å; Q938-L941 WeakPolarHBondContact O-CB 3.34Å; Q938-L941 PolarHBondContact O-N 3.23Å; Q938-L941 VanDerWaalsContact O-N 3.14Å; L941-L972 HydrophobicContact CD2-CB 4.17Å; L941-L972 HydrophobicContact CD2-CD1 4.12Å; L941-L972 HydrophobicContact CD2-CD2 4.01Å; L941-L972 HydrophobicContact CD2-CG 4.32Å; L941-K975 PolarHBondContact O-NZ 3.35Å
942	D	91.6	Very high	91.7	Very high	101 Å²	101	63.4 Å²	63.4	54%	0.54	35%	0.349	S	S	.	.	H	α-helix	trans	-69.2	-41.1	-176.9	-65.4	-16.8	0	0	0	111.1	Q938	Q938-D942 PolarHBondContact NE2-OD1 3.26Å; Q938-D942 WeakPolarHBondContact O-CB 3.43Å; Q938-D942 PolarHBondContact O-N 3.34Å
943	R	91.8	Very high	91.7	Very high	106 Å²	106	57.6 Å²	57.6	40%	0.4	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	16.5	-172.7	-57.1	173.5	62.6	-161.5	-2.9	114.2	Q939 E945 E946 L947	Q939-R943 VanDerWaalsContact O-CB 3.3Å; Q939-R943 WeakPolarHBondContact O-CB 3Å; Q939-R943 PolarHBondContact O-N 3.04Å; R943-E945 PolarHBondContact O-N 3.26Å; R943-E945 VanDerWaalsContact O-N 3.12Å; R943-E946 IonicContact NE-OE2 3.42Å; R943-E946 PolarHBondContact NE-OE2 3Å; R943-E946 IonicContact NH2-OE2 3.97Å; R943-E946 PolarHBondContact O-N 3.21Å; R943-L947 HydrophobicContact CB-CD1 4.14Å; R943-L947 HydrophobicContact CB-CG 4.13Å; R943-L947 WeakPolarHBondContact O-CG 3.47Å; R943-L947 PolarHBondContact O-N 2.73Å; R943-L947 VanDerWaalsContact O-N 3.11Å
944	A	89.8	Confident	91.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.5	-175.5	0	0	0	0	0	114	V940 E946 F949 L972 K975 I976	V940-A944 WeakPolarHBondContact O-CA 3.21Å; V940-A944 WeakPolarHBondContact O-CB 3.4Å; V940-A944 PolarHBondContact O-N 2.76Å; V940-A944 VanDerWaalsContact O-N 3.11Å; A944-E946 VanDerWaalsContact C-N 3.3Å; A944-E946 PolarHBondContact O-N 3.36Å; A944-F949 HydrophobicContact CB-CE2 4.49Å; A944-F949 HydrophobicContact CB-CZ 4.43Å; A944-F949 WeakPolarHBondContact O-CE2 3.46Å; A944-L972 HydrophobicContact CB-CD1 3.7Å; A944-K975 HydrophobicContact CB-CB 3.59Å; A944-K975 HydrophobicContact CB-CD 3.88Å; A944-K975 HydrophobicContact CB-CG 4.41Å; A944-I976 HydrophobicContact CB-CG1 4.32Å
945	E	88.8	Confident	91.5	Very high	125 Å²	125	56.2 Å²	56.2	58%	0.584	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.4	178.1	-65.9	178.2	-166.2	0	0	113.3	R943 K975 R978	R943-E945 PolarHBondContact O-N 3.26Å; R943-E945 VanDerWaalsContact O-N 3.12Å; E945-K975 HydrophobicContact CG-CB 3.75Å; E945-K975 HydrophobicContact CG-CD 4.13Å; E945-K975 HydrophobicContact CG-CG 3.78Å; E945-R978 PolarHBondContact O-NE 3.28Å; E945-R978 VanDerWaalsContact O-NE 3.09Å; E945-R978 PolarHBondContact O-NH2 2.87Å
946	E	88.8	Confident	91.4	Very high	133 Å²	133	56 Å²	56	62%	0.621	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-36.9	-176.7	-60.1	174.1	-178.6	0	0	111.7	R943 A944 R978	R943-E946 IonicContact NE-OE2 3.42Å; R943-E946 PolarHBondContact NE-OE2 3Å; R943-E946 IonicContact NH2-OE2 3.97Å; R943-E946 PolarHBondContact O-N 3.21Å; A944-E946 VanDerWaalsContact C-N 3.3Å; A944-E946 PolarHBondContact O-N 3.36Å; E946-R978 VanDerWaalsContact C-NH2 3.33Å; E946-R978 PolarHBondContact O-NH2 3.25Å
947	L	90.1	Very high	91.3	Very high	17 Å²	17	53 Å²	53	9%	0.089	28%	0.278	C	S	.	.			trans	-71.3	137.6	-172.6	-66.6	171.5	0	0	0	113	F929 L935 R943 F949 R978	F929-L947 HydrophobicContact CZ-CB 4.33Å; F929-L947 HydrophobicContact CZ-CD2 4.38Å; L935-L947 HydrophobicContact CD1-CD1 3.9Å; L935-L947 HydrophobicContact CD1-CD2 4.09Å; L935-L947 HydrophobicContact CD2-CD2 4.41Å; R943-L947 HydrophobicContact CB-CD1 4.14Å; R943-L947 HydrophobicContact CB-CG 4.13Å; R943-L947 WeakPolarHBondContact O-CG 3.47Å; R943-L947 PolarHBondContact O-N 2.73Å; R943-L947 VanDerWaalsContact O-N 3.11Å; L947-F949 HydrophobicContact CB-CD2 4.25Å; L947-F949 HydrophobicContact CB-CE2 3.69Å; L947-F949 HydrophobicContact CB-CZ 4.02Å; L947-F949 HydrophobicContact CD1-CZ 4.16Å; L947-F949 WeakPolarHBondContact O-CD2 3.45Å; L947-F949 PolarHBondContact O-N 2.93Å; L947-R978 PolarHBondContact O-NH2 2.9Å
948	S	91.2	Very high	91.2	Very high	96 Å²	96	52.2 Å²	52.2	67%	0.671	27%	0.271	S	S	*	.			trans	-88.5	92.4	171.8	-65.3	0	0	0	0	110.5	F929	F929-S948 WeakPolarHBondContact CE2-O 3.39Å
949	F	92.1	Very high	90.9	Very high	17 Å²	17	47.1 Å²	47.1	8%	0.075	25%	0.247	C	C	.	.			trans	-68.8	153.5	-179.5	-69.4	-90	0	0	0	112.7	L926 F929 V940 A944 L947 V953 I954 I976	L926-F949 HydrophobicContact CD1-CD1 4.03Å; L926-F949 HydrophobicContact CD1-CE1 4.09Å; F929-F949 HydrophobicContact CE1-CD1 4.46Å; V940-F949 HydrophobicContact CG1-CE1 3.78Å; V940-F949 HydrophobicContact CG1-CZ 3.91Å; A944-F949 HydrophobicContact CB-CE2 4.49Å; A944-F949 HydrophobicContact CB-CZ 4.43Å; A944-F949 WeakPolarHBondContact O-CE2 3.46Å; L947-F949 HydrophobicContact CB-CD2 4.25Å; L947-F949 HydrophobicContact CB-CE2 3.69Å; L947-F949 HydrophobicContact CB-CZ 4.02Å; L947-F949 HydrophobicContact CD1-CZ 4.16Å; L947-F949 WeakPolarHBondContact O-CD2 3.45Å; L947-F949 PolarHBondContact O-N 2.93Å; F949-V953 HydrophobicContact CB-CB 4.34Å; F949-V953 HydrophobicContact CB-CG1 4.35Å; F949-V953 HydrophobicContact CD1-CG1 4.16Å; F949-I954 HydrophobicContact CB-CG1 4.23Å; F949-I976 HydrophobicContact CD1-CD1 4.23Å; F949-I976 HydrophobicContact CD2-CD1 4.24Å; F949-I976 HydrophobicContact CD2-CG1 3.88Å; F949-I976 HydrophobicContact CD2-CG2 4.14Å; F949-I976 HydrophobicContact CE1-CD1 3.96Å; F949-I976 HydrophobicContact CE1-CG1 4.45Å; F949-I976 HydrophobicContact CE2-CD1 4Å; F949-I976 HydrophobicContact CE2-CG1 3.57Å; F949-I976 HydrophobicContact CG-CD1 4.36Å; F949-I976 HydrophobicContact CG-CG1 4.46Å; F949-I976 HydrophobicContact CG-CG2 4.44Å; F949-I976 HydrophobicContact CZ-CD1 3.84Å; F949-I976 HydrophobicContact CZ-CG1 3.88Å
950	P	90.6	Very high	90.6	Very high	31 Å²	31	47 Å²	47	20%	0.201	25%	0.246	C	C	.	.			trans	-52.8	143.7	168.2	-24.6	33.8	0	0	0	111.8	D925 F929 S952 V953 I954	D925-P950 HydrophobicContact CB-CB 3.98Å; D925-P950 HydrophobicContact CB-CG 4.16Å; F929-P950 HydrophobicContact CB-CG 3.93Å; F929-P950 HydrophobicContact CD2-CG 4.39Å; F929-P950 HydrophobicContact CG-CG 4.24Å; P950-S952 PolarHBondContact O-N 2.76Å; P950-V953 HydrophobicContact CB-CG2 4.19Å; P950-V953 HydrophobicContact CG-CG2 4.27Å; P950-V953 WeakPolarHBondContact O-CB 3.34Å; P950-V953 PolarHBondContact O-N 3.21Å; P950-I954 PolarHBondContact O-N 3.29Å
951	S	89.5	Confident	90.3	Very high	82 Å²	82	47.6 Å²	47.6	57%	0.573	25%	0.249	S	C	*	.	H	α-helix	trans	-57.6	-35.3	-177.6	62.8	0	0	0	0	112.6	V953 I954 E955	S951-V953 VanDerWaalsContact C-N 3.3Å; S951-V953 PolarHBondContact O-N 3.34Å; S951-I954 PolarHBondContact O-N 3.34Å; S951-I954 VanDerWaalsContact O-N 3.16Å; S951-E955 VanDerWaalsContact O-CG 3.3Å; S951-E955 WeakPolarHBondContact O-CG 3.5Å; S951-E955 PolarHBondContact O-N 3.18Å
952	S	89	Confident	90.1	Very high	11 Å²	11	44.6 Å²	44.6	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-36.4	177.1	58.2	0	0	0	0	112.9	D925 P950 F956	D925-S952 WeakPolarHBondContact OD2-CB 3.47Å; D925-S952 PolarHBondContact OD2-OG 2.92Å; P950-S952 PolarHBondContact O-N 2.76Å; S952-F956 WeakPolarHBondContact O-CB 3.41Å; S952-F956 PolarHBondContact O-N 2.93Å
953	V	91.9	Very high	90.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-39.4	175.9	178.4	0	0	0	0	110.6	L910 I922 L926 F949 P950 S951 F956 F957	L910-V953 HydrophobicContact CD2-CG1 4.44Å; I922-V953 HydrophobicContact CG2-CG2 4.06Å; L926-V953 HydrophobicContact CB-CG2 3.95Å; F949-V953 HydrophobicContact CB-CB 4.34Å; F949-V953 HydrophobicContact CB-CG1 4.35Å; F949-V953 HydrophobicContact CD1-CG1 4.16Å; P950-V953 HydrophobicContact CB-CG2 4.19Å; P950-V953 HydrophobicContact CG-CG2 4.27Å; P950-V953 WeakPolarHBondContact O-CB 3.34Å; P950-V953 PolarHBondContact O-N 3.21Å; S951-V953 VanDerWaalsContact C-N 3.3Å; S951-V953 PolarHBondContact O-N 3.34Å; V953-F956 WeakPolarHBondContact O-CB 3.36Å; V953-F956 PolarHBondContact O-N 3.34Å; V953-F957 HydrophobicContact CG1-CD2 3.75Å; V953-F957 HydrophobicContact CG1-CE2 3.73Å; V953-F957 VanDerWaalsContact O-CD2 3.25Å; V953-F957 WeakPolarHBondContact O-CD2 3.19Å; V953-F957 PolarHBondContact O-N 2.77Å
954	I	91.3	Very high	90.2	Very high	54 Å²	54	37.1 Å²	37.1	28%	0.277	20%	0.201	S	C	.	.	H	α-helix	trans	-66.2	-46.1	175.9	-60.4	170.7	0	0	0	110.4	F949 P950 S951 F956 F957 S958 I976	F949-I954 HydrophobicContact CB-CG1 4.23Å; P950-I954 PolarHBondContact O-N 3.29Å; S951-I954 PolarHBondContact O-N 3.34Å; S951-I954 VanDerWaalsContact O-N 3.16Å; I954-F956 VanDerWaalsContact C-N 3.29Å; I954-F956 PolarHBondContact O-N 3.19Å; I954-F957 PolarHBondContact O-N 3.45Å; I954-S958 WeakPolarHBondContact O-CB 3.26Å; I954-S958 PolarHBondContact O-N 3.27Å; I954-S958 PolarHBondContact O-OG 3.13Å; I954-I976 HydrophobicContact CG1-CG2 4.27Å
955	E	88.5	Confident	90.3	Very high	63 Å²	63	42.2 Å²	42.2	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-59.5	-37.9	175.4	-70.5	172.1	-177.9	0	0	111.6	S951 S958 E960	S951-E955 VanDerWaalsContact O-CG 3.3Å; S951-E955 WeakPolarHBondContact O-CG 3.5Å; S951-E955 PolarHBondContact O-N 3.18Å; E955-S958 PolarHBondContact O-OG 3.33Å; E955-E960 HydrophobicContact CB-CB 4.34Å; E955-E960 WeakPolarHBondContact O-CB 3.49Å; E955-E960 PolarHBondContact O-N 3.31Å
956	F	91.5	Very high	90.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-54.6	172.1	168.8	-107.2	0	0	0	111.9	L689 L910 I913 I922 S952 V953 I954 S958 G959 I961 P964 F968	L689-F956 HydrophobicContact CD1-CE2 4.15Å; L689-F956 HydrophobicContact CD2-CE2 4.23Å; L910-F956 HydrophobicContact CB-CE1 4.21Å; L910-F956 HydrophobicContact CD2-CD1 3.76Å; L910-F956 HydrophobicContact CD2-CE1 3.67Å; L910-F956 HydrophobicContact CG-CE1 4.48Å; I913-F956 HydrophobicContact CD1-CE2 4.31Å; I913-F956 HydrophobicContact CD1-CZ 4.34Å; I913-F956 HydrophobicContact CG2-CZ 4.13Å; I922-F956 HydrophobicContact CD1-CB 3.88Å; I922-F956 HydrophobicContact CG2-CB 3.95Å; I922-F956 HydrophobicContact CG2-CG 4.3Å; S952-F956 WeakPolarHBondContact O-CB 3.41Å; S952-F956 PolarHBondContact O-N 2.93Å; V953-F956 WeakPolarHBondContact O-CB 3.36Å; V953-F956 PolarHBondContact O-N 3.34Å; I954-F956 VanDerWaalsContact C-N 3.29Å; I954-F956 PolarHBondContact O-N 3.19Å; F956-S958 PolarHBondContact O-N 2.71Å; F956-G959 PolarHBondContact O-N 3.01Å; F956-I961 HydrophobicContact CD2-CD1 3.86Å; F956-I961 HydrophobicContact CD2-CG1 4.21Å; F956-P964 HydrophobicContact CE2-CG 4.31Å; F956-P964 HydrophobicContact CZ-CB 4.47Å; F956-P964 HydrophobicContact CZ-CG 4.04Å; F956-F968 HydrophobicContact CD1-CD1 4.42Å; F956-F968 HydrophobicContact CD1-CE1 4.19Å; F956-F968 HydrophobicContact CD2-CE1 4.09Å; F956-F968 AromaticContact CE1-CD1 3.81Å; F956-F968 HydrophobicContact CE1-CD1 3.81Å; F956-F968 AromaticContact CE1-CE1 3.86Å; F956-F968 HydrophobicContact CE1-CE1 3.86Å; F956-F968 HydrophobicContact CE2-CD1 4.38Å; F956-F968 AromaticContact CE2-CE1 3.76Å; F956-F968 HydrophobicContact CE2-CE1 3.76Å; F956-F968 HydrophobicContact CG-CE1 4.31Å; F956-F968 AromaticContact CZ-CD1 3.8Å; F956-F968 HydrophobicContact CZ-CD1 3.8Å; F956-F968 AromaticContact CZ-CE1 3.65Å; F956-F968 HydrophobicContact CZ-CE1 3.65Å; F956-F968 WeakPolarHBondContact O-CE1 3.36Å; F956-F968 VanDerWaalsContact O-CZ 3.29Å; F956-F968 WeakPolarHBondContact O-CZ 3.4Å
957	F	92.9	Very high	90.6	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-67	-22.8	-177.7	-83.5	-60.5	0	0	0	113.7	L910 V953 I954 G959 F968 P969 L972 R973 I976 M977	L910-F957 HydrophobicContact CD2-CE2 3.58Å; L910-F957 HydrophobicContact CD2-CZ 3.68Å; V953-F957 HydrophobicContact CG1-CD2 3.75Å; V953-F957 HydrophobicContact CG1-CE2 3.73Å; V953-F957 VanDerWaalsContact O-CD2 3.25Å; V953-F957 WeakPolarHBondContact O-CD2 3.19Å; V953-F957 PolarHBondContact O-N 2.77Å; I954-F957 PolarHBondContact O-N 3.45Å; F957-G959 PolarHBondContact O-N 3.29Å; F957-F968 HydrophobicContact CD1-CB 4.42Å; F957-F968 AromaticContact CD1-CD1 3.93Å; F957-F968 HydrophobicContact CD1-CD1 3.93Å; F957-F968 HydrophobicContact CD1-CG 4.45Å; F957-F968 HydrophobicContact CE1-CD1 4.37Å; F957-P969 HydrophobicContact CE1-CG 3.92Å; F957-P969 HydrophobicContact CZ-CG 4.22Å; F957-L972 HydrophobicContact CZ-CD2 3.93Å; F957-L972 HydrophobicContact CZ-CG 4.09Å; F957-R973 HydrophobicContact CB-CG 4.06Å; F957-R973 HydrophobicContact CD1-CB 3.52Å; F957-R973 HydrophobicContact CD1-CG 3.63Å; F957-R973 HydrophobicContact CE1-CB 3.88Å; F957-R973 HydrophobicContact CE1-CG 4.48Å; F957-R973 HydrophobicContact CG-CB 4.38Å; F957-R973 HydrophobicContact CG-CG 4.21Å; F957-R973 WeakPolarHBondContact O-CD 3.46Å; F957-I976 HydrophobicContact CD2-CB 4.39Å; F957-I976 HydrophobicContact CD2-CD1 3.66Å; F957-I976 HydrophobicContact CD2-CG2 4.08Å; F957-I976 HydrophobicContact CE2-CD1 3.32Å; F957-I976 HydrophobicContact CZ-CD1 4.02Å; F957-M977 HydrophobicContact CB-CG 4.29Å; F957-M977 HydrophobicContact CB-SD 4.11Å
958	S	90.4	Very high	90.8	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.07	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.2	172.9	76.4	0	0	0	0	113.1	I954 E955 F956 E960 K983	I954-S958 WeakPolarHBondContact O-CB 3.26Å; I954-S958 PolarHBondContact O-N 3.27Å; I954-S958 PolarHBondContact O-OG 3.13Å; E955-S958 PolarHBondContact O-OG 3.33Å; F956-S958 PolarHBondContact O-N 2.71Å; S958-E960 WeakPolarHBondContact OG-CG 3.43Å; S958-K983 WeakPolarHBondContact O-CB 3.42Å; S958-K983 VanDerWaalsContact O-CG 3.32Å; S958-K983 WeakPolarHBondContact O-CG 3.42Å; S958-K983 PolarHBondContact O-N 3.22Å
959	G	89.4	Confident	90.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	15.8	-175.3	0	0	0	0	0	113.5	F956 F957 I961 G962	F956-G959 PolarHBondContact O-N 3.01Å; F957-G959 PolarHBondContact O-N 3.29Å; G959-I961 PolarHBondContact O-N 2.89Å; G959-G962 PolarHBondContact O-N 3.4Å
960	E	86.8	Confident	90.9	Very high	73 Å²	73	35.8 Å²	35.8	34%	0.341	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-24.4	-176.2	-86.7	-178.6	-152.9	0	0	114.4	N662 E955 S958	N662-E960 PolarHBondContact ND2-O 2.91Å; E955-E960 HydrophobicContact CB-CB 4.34Å; E955-E960 WeakPolarHBondContact O-CB 3.49Å; E955-E960 PolarHBondContact O-N 3.31Å; S958-E960 WeakPolarHBondContact OG-CG 3.43Å
961	I	86.6	Confident	91	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.067	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-1	-179.9	72.3	170.1	0	0	0	113.7	L689 P918 I922 F956 G959	L689-I961 HydrophobicContact CD1-CD1 4.13Å; L689-I961 HydrophobicContact CD1-CG1 3.99Å; P918-I961 HydrophobicContact CG-CG2 4.25Å; I922-I961 HydrophobicContact CD1-CD1 3.49Å; I922-I961 VanDerWaalsContact CD1-CD1 3.49Å; F956-I961 HydrophobicContact CD2-CD1 3.86Å; F956-I961 HydrophobicContact CD2-CG1 4.21Å; G959-I961 PolarHBondContact O-N 2.89Å
962	G	89.2	Confident	91.2	Very high	3 Å²	3	34.9 Å²	34.9	3%	0.031	20%	0.204	C	C	.	.			trans	114.3	-173.8	-171.1	0	0	0	0	0	112.9	G959	G959-G962 PolarHBondContact O-N 3.4Å
963	F	92.2	Very high	91.4	Very high	41 Å²	41	37.6 Å²	37.6	18%	0.18	21%	0.212	C	C	.	.			trans	-114.6	129.7	-174	-60.9	-95.3	0	0	0	110.6	Y691 F968 K983 T984	Y691-F963 HydrophobicContact CD2-CB 4.03Å; Y691-F963 HydrophobicContact CD2-CD2 4.34Å; Y691-F963 AromaticContact CE1-CD2 3.99Å; Y691-F963 HydrophobicContact CE1-CD2 3.99Å; Y691-F963 HydrophobicContact CE2-CB 3.94Å; Y691-F963 AromaticContact CE2-CD2 3.65Å; Y691-F963 HydrophobicContact CE2-CD2 3.65Å; Y691-F963 HydrophobicContact CE2-CG 4.22Å; Y691-F963 AromaticContact CZ-CD2 3.45Å; Y691-F963 VanDerWaalsContact CZ-CD2 3.45Å; Y691-F963 WeakPolarHBondContact OH-CD2 3.21Å; F963-F968 HydrophobicContact CD1-CD2 4.39Å; F963-F968 AromaticContact CD1-CE2 3.58Å; F963-F968 HydrophobicContact CD1-CE2 3.58Å; F963-F968 HydrophobicContact CD1-CZ 4.33Å; F963-F968 HydrophobicContact CE1-CE2 4.02Å; F963-F968 HydrophobicContact CG-CE2 4.45Å; F963-K983 WeakPolarHBondContact CE1-O 3.4Å; F963-K983 WeakPolarHBondContact CZ-O 3.5Å; F963-T984 VanDerWaalsContact CZ-C 3.44Å
964	P	93.4	Very high	91.3	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	24%	0.237	C	C	.	.			trans	-70.7	149.3	177	30.2	-35.4	0	0	0	111.2	L689 I913 F956 G966 G967 F968	L689-P964 HydrophobicContact CD2-CB 4.47Å; I913-P964 HydrophobicContact CG2-CB 3.91Å; F956-P964 HydrophobicContact CE2-CG 4.31Å; F956-P964 HydrophobicContact CZ-CB 4.47Å; F956-P964 HydrophobicContact CZ-CG 4.04Å; P964-G966 PolarHBondContact O-N 3.25Å; P964-G967 PolarHBondContact O-N 3.45Å; P964-F968 VanDerWaalsContact CD-CE1 3.47Å; P964-F968 HydrophobicContact CG-CD1 3.87Å; P964-F968 HydrophobicContact CG-CE1 3.94Å; P964-F968 HydrophobicContact CG-CG 4.31Å; P964-F968 HydrophobicContact CG-CZ 4.45Å
965	Y	93.1	Very high	91.4	Very high	108 Å²	108	41.7 Å²	41.7	42%	0.424	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	131.1	170.6	-176.5	-110.3	0	0	0	110.6	K726 Y727 Y731 G967	K726-Y965 WeakPolarHBondContact CE-O 3.37Å; K726-Y965 HydrophobicContact CG-CD1 4.2Å; K726-Y965 HydrophobicContact CG-CE1 4.38Å; K726-Y965 PolarHBondContact NZ-O 2.7Å; K726-Y965 WeakPolarHBondContact O-CE1 3.4Å; Y727-Y965 HydrophobicContact CE1-CD1 4.42Å; Y731-Y965 AromaticContact CD2-CD1 3.77Å; Y731-Y965 HydrophobicContact CD2-CD1 3.77Å; Y731-Y965 AromaticContact CD2-CD2 3.94Å; Y731-Y965 HydrophobicContact CD2-CD2 3.94Å; Y731-Y965 AromaticContact CD2-CE1 3.64Å; Y731-Y965 HydrophobicContact CD2-CE1 3.64Å; Y731-Y965 AromaticContact CD2-CE2 3.81Å; Y731-Y965 HydrophobicContact CD2-CE2 3.81Å; Y731-Y965 AromaticContact CD2-CG 3.92Å; Y731-Y965 HydrophobicContact CD2-CG 3.92Å; Y731-Y965 AromaticContact CD2-CZ 3.65Å; Y731-Y965 AromaticContact CE2-CD1 3.75Å; Y731-Y965 HydrophobicContact CE2-CD1 3.75Å; Y731-Y965 AromaticContact CE2-CD2 3.68Å; Y731-Y965 HydrophobicContact CE2-CD2 3.68Å; Y731-Y965 HydrophobicContact CE2-CE1 4.11Å; Y731-Y965 HydrophobicContact CE2-CE2 4.05Å; Y731-Y965 AromaticContact CE2-CG 3.52Å; Y731-Y965 HydrophobicContact CE2-CG 3.52Å; Y731-Y965 HydrophobicContact CG-CE1 4.44Å; Y965-G967 VanDerWaalsContact C-N 3.33Å
966	G	91.3	Very high	91.5	Very high	74 Å²	74	39.2 Å²	39.2	76%	0.763	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	-4	-171.7	0	0	0	0	0	115.2	P964	P964-G966 PolarHBondContact O-N 3.25Å
967	G	92.2	Very high	91.4	Very high	35 Å²	35	39.6 Å²	39.6	36%	0.361	23%	0.226	S	C	.	.			trans	81.2	177	-179.6	0	0	0	0	0	113.9	P964 Y965	P964-G967 PolarHBondContact O-N 3.45Å; Y965-G967 VanDerWaalsContact C-N 3.33Å
968	F	93.5	Very high	91.2	Very high	23 Å²	23	46.2 Å²	46.2	10%	0.101	25%	0.25	C	S	.	.			trans	-79.7	144.2	178.1	-64	-76.6	0	0	0	111.3	F956 F957 F963 P964 E970 R973	F956-F968 HydrophobicContact CD1-CD1 4.42Å; F956-F968 HydrophobicContact CD1-CE1 4.19Å; F956-F968 HydrophobicContact CD2-CE1 4.09Å; F956-F968 AromaticContact CE1-CD1 3.81Å; F956-F968 HydrophobicContact CE1-CD1 3.81Å; F956-F968 AromaticContact CE1-CE1 3.86Å; F956-F968 HydrophobicContact CE1-CE1 3.86Å; F956-F968 HydrophobicContact CE2-CD1 4.38Å; F956-F968 AromaticContact CE2-CE1 3.76Å; F956-F968 HydrophobicContact CE2-CE1 3.76Å; F956-F968 HydrophobicContact CG-CE1 4.31Å; F956-F968 AromaticContact CZ-CD1 3.8Å; F956-F968 HydrophobicContact CZ-CD1 3.8Å; F956-F968 AromaticContact CZ-CE1 3.65Å; F956-F968 HydrophobicContact CZ-CE1 3.65Å; F956-F968 WeakPolarHBondContact O-CE1 3.36Å; F956-F968 VanDerWaalsContact O-CZ 3.29Å; F956-F968 WeakPolarHBondContact O-CZ 3.4Å; F957-F968 HydrophobicContact CD1-CB 4.42Å; F957-F968 AromaticContact CD1-CD1 3.93Å; F957-F968 HydrophobicContact CD1-CD1 3.93Å; F957-F968 HydrophobicContact CD1-CG 4.45Å; F957-F968 HydrophobicContact CE1-CD1 4.37Å; F963-F968 HydrophobicContact CD1-CD2 4.39Å; F963-F968 AromaticContact CD1-CE2 3.58Å; F963-F968 HydrophobicContact CD1-CE2 3.58Å; F963-F968 HydrophobicContact CD1-CZ 4.33Å; F963-F968 HydrophobicContact CE1-CE2 4.02Å; F963-F968 HydrophobicContact CG-CE2 4.45Å; P964-F968 VanDerWaalsContact CD-CE1 3.47Å; P964-F968 HydrophobicContact CG-CD1 3.87Å; P964-F968 HydrophobicContact CG-CE1 3.94Å; P964-F968 HydrophobicContact CG-CG 4.31Å; P964-F968 HydrophobicContact CG-CZ 4.45Å; F968-E970 PolarHBondContact O-N 3.49Å; F968-R973 HydrophobicContact CB-CB 4.2Å; F968-R973 HydrophobicContact CB-CG 4.4Å
969	P	93.3	Very high	90.8	Very high	33 Å²	33	49.5 Å²	49.5	21%	0.214	29%	0.286	C	S	.	.			trans	-66.8	120.5	177	24.4	-32.1	0	0	0	111.7	L909 F957 L972 R973	L909-P969 VanDerWaalsContact O-CG 3.25Å; L909-P969 WeakPolarHBondContact O-CG 3.49Å; F957-P969 HydrophobicContact CE1-CG 3.92Å; F957-P969 HydrophobicContact CZ-CG 4.22Å; P969-L972 HydrophobicContact CG-CD2 4.45Å; P969-L972 PolarHBondContact O-N 2.81Å; P969-R973 PolarHBondContact O-N 3.23Å
970	E	92.5	Very high	90.4	Very high	87 Å²	87	55.2 Å²	55.2	41%	0.407	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	144.9	171.3	-68.5	-67.6	-174.8	0	0	110.5	F968 R973 T974	F968-E970 PolarHBondContact O-N 3.49Å; E970-R973 IonicContact OE1-CZ 2.83Å; E970-R973 IonicContact OE1-NE 2.62Å; E970-R973 PolarHBondContact OE1-NE 3.29Å; E970-R973 IonicContact OE1-NH2 3.45Å; E970-R973 PolarHBondContact OE1-NH2 3.12Å; E970-T974 PolarHBondContact OE1-OG1 3.24Å; E970-T974 VanDerWaalsContact OE2-CB 3.32Å; E970-T974 WeakPolarHBondContact OE2-CB 3.46Å; E970-T974 PolarHBondContact OE2-N 3.45Å; E970-T974 VanDerWaalsContact OE2-N 3.09Å; E970-T974 PolarHBondContact OE2-OG1 3.1Å
971	P	92.7	Very high	90.3	Very high	87 Å²	87	61.1 Å²	61.1	57%	0.565	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.3	7.5	6.3	34.7	-36.7	0	0	0	115	R973 T974 K975	P971-R973 PolarHBondContact O-N 3.36Å; P971-T974 PolarHBondContact O-N 2.67Å; P971-K975 WeakPolarHBondContact O-CG 3.38Å; P971-K975 PolarHBondContact O-N 3.47Å; P971-K975 VanDerWaalsContact O-N 3.08Å
972	L	93	Very high	90.1	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-47.9	-173.9	179.1	60.2	0	0	0	112.6	L909 L941 A944 F957 P969 T974 K975 I976	L909-L972 HydrophobicContact CB-CD2 4.45Å; L909-L972 VanDerWaalsContact O-CD2 3.26Å; L909-L972 WeakPolarHBondContact O-CD2 3.37Å; L941-L972 HydrophobicContact CD2-CB 4.17Å; L941-L972 HydrophobicContact CD2-CD1 4.12Å; L941-L972 HydrophobicContact CD2-CD2 4.01Å; L941-L972 HydrophobicContact CD2-CG 4.32Å; A944-L972 HydrophobicContact CB-CD1 3.7Å; F957-L972 HydrophobicContact CZ-CD2 3.93Å; F957-L972 HydrophobicContact CZ-CG 4.09Å; P969-L972 HydrophobicContact CG-CD2 4.45Å; P969-L972 PolarHBondContact O-N 2.81Å; L972-T974 PolarHBondContact O-N 2.86Å; L972-K975 PolarHBondContact O-N 2.92Å; L972-I976 HydrophobicContact CD1-CD1 3.67Å; L972-I976 HydrophobicContact CD1-CG1 4.02Å; L972-I976 HydrophobicContact CD2-CD1 4.46Å; L972-I976 HydrophobicContact CG-CD1 3.82Å; L972-I976 HydrophobicContact CG-CG1 4.46Å; L972-I976 WeakPolarHBondContact O-CG1 3.41Å; L972-I976 PolarHBondContact O-N 2.89Å
973	R	92.9	Very high	89.9	Confident	68 Å²	68	66.4 Å²	66.4	26%	0.257	36%	0.364	S	S	.	.	H	α-helix	trans	-54.9	-51.7	176.1	179.5	-176.1	68.1	169	3.7	111.1	F957 F968 P969 E970 P971 K975 I976 M977	F957-R973 HydrophobicContact CB-CG 4.06Å; F957-R973 HydrophobicContact CD1-CB 3.52Å; F957-R973 HydrophobicContact CD1-CG 3.63Å; F957-R973 HydrophobicContact CE1-CB 3.88Å; F957-R973 HydrophobicContact CE1-CG 4.48Å; F957-R973 HydrophobicContact CG-CB 4.38Å; F957-R973 HydrophobicContact CG-CG 4.21Å; F957-R973 WeakPolarHBondContact O-CD 3.46Å; F968-R973 HydrophobicContact CB-CB 4.2Å; F968-R973 HydrophobicContact CB-CG 4.4Å; P969-R973 PolarHBondContact O-N 3.23Å; E970-R973 IonicContact OE1-CZ 2.83Å; E970-R973 IonicContact OE1-NE 2.62Å; E970-R973 PolarHBondContact OE1-NE 3.29Å; E970-R973 IonicContact OE1-NH2 3.45Å; E970-R973 PolarHBondContact OE1-NH2 3.12Å; P971-R973 PolarHBondContact O-N 3.36Å; R973-K975 VanDerWaalsContact C-N 3.27Å; R973-K975 PolarHBondContact O-N 3.23Å; R973-I976 PolarHBondContact O-N 3.14Å; R973-M977 HydrophobicContact CG-CG 3.99Å; R973-M977 WeakPolarHBondContact O-CB 3.45Å; R973-M977 VanDerWaalsContact O-CG 3.25Å; R973-M977 WeakPolarHBondContact O-CG 3.08Å; R973-M977 PolarHBondContact O-N 3.14Å
974	T	91.5	Very high	89.4	Confident	84 Å²	84	70 Å²	70	52%	0.515	39%	0.39	S	S	.	.	H	α-helix	trans	-56.6	-43	-178.3	-62.7	0	0	0	0	111.7	E970 P971 L972 R978	E970-T974 PolarHBondContact OE1-OG1 3.24Å; E970-T974 VanDerWaalsContact OE2-CB 3.32Å; E970-T974 WeakPolarHBondContact OE2-CB 3.46Å; E970-T974 PolarHBondContact OE2-N 3.45Å; E970-T974 VanDerWaalsContact OE2-N 3.09Å; E970-T974 PolarHBondContact OE2-OG1 3.1Å; P971-T974 PolarHBondContact O-N 2.67Å; L972-T974 PolarHBondContact O-N 2.86Å; T974-R978 PolarHBondContact O-N 2.93Å
975	K	92.6	Very high	89	Confident	57 Å²	57	74.7 Å²	74.7	25%	0.248	41%	0.411	C	S	.	.	H	α-helix	trans	-65.2	-43.8	177.6	-69.5	-172.4	176.7	-173.5	0	113.1	L941 A944 E945 P971 L972 R973 R978	L941-K975 PolarHBondContact O-NZ 3.35Å; A944-K975 HydrophobicContact CB-CB 3.59Å; A944-K975 HydrophobicContact CB-CD 3.88Å; A944-K975 HydrophobicContact CB-CG 4.41Å; E945-K975 HydrophobicContact CG-CB 3.75Å; E945-K975 HydrophobicContact CG-CD 4.13Å; E945-K975 HydrophobicContact CG-CG 3.78Å; P971-K975 WeakPolarHBondContact O-CG 3.38Å; P971-K975 PolarHBondContact O-N 3.47Å; P971-K975 VanDerWaalsContact O-N 3.08Å; L972-K975 PolarHBondContact O-N 2.92Å; R973-K975 VanDerWaalsContact C-N 3.27Å; R973-K975 PolarHBondContact O-N 3.23Å; K975-R978 VanDerWaalsContact O-CG 3.25Å; K975-R978 WeakPolarHBondContact O-CG 3.04Å
976	I	91.4	Very high	88.7	Confident	11 Å²	11	71.1 Å²	71.1	6%	0.056	40%	0.397	C	S	.	.	H	α-helix	trans	-67	-40.5	178.8	-68.9	176.8	0	0	0	111.2	A944 F949 I954 F957 L972 R973 R978	A944-I976 HydrophobicContact CB-CG1 4.32Å; F949-I976 HydrophobicContact CD1-CD1 4.23Å; F949-I976 HydrophobicContact CD2-CD1 4.24Å; F949-I976 HydrophobicContact CD2-CG1 3.88Å; F949-I976 HydrophobicContact CD2-CG2 4.14Å; F949-I976 HydrophobicContact CE1-CD1 3.96Å; F949-I976 HydrophobicContact CE1-CG1 4.45Å; F949-I976 HydrophobicContact CE2-CD1 4Å; F949-I976 HydrophobicContact CE2-CG1 3.57Å; F949-I976 HydrophobicContact CG-CD1 4.36Å; F949-I976 HydrophobicContact CG-CG1 4.46Å; F949-I976 HydrophobicContact CG-CG2 4.44Å; F949-I976 HydrophobicContact CZ-CD1 3.84Å; F949-I976 HydrophobicContact CZ-CG1 3.88Å; I954-I976 HydrophobicContact CG1-CG2 4.27Å; F957-I976 HydrophobicContact CD2-CB 4.39Å; F957-I976 HydrophobicContact CD2-CD1 3.66Å; F957-I976 HydrophobicContact CD2-CG2 4.08Å; F957-I976 HydrophobicContact CE2-CD1 3.32Å; F957-I976 HydrophobicContact CZ-CD1 4.02Å; L972-I976 HydrophobicContact CD1-CD1 3.67Å; L972-I976 HydrophobicContact CD1-CG1 4.02Å; L972-I976 HydrophobicContact CD2-CD1 4.46Å; L972-I976 HydrophobicContact CG-CD1 3.82Å; L972-I976 HydrophobicContact CG-CG1 4.46Å; L972-I976 WeakPolarHBondContact O-CG1 3.41Å; L972-I976 PolarHBondContact O-N 2.89Å; R973-I976 PolarHBondContact O-N 3.14Å; I976-R978 VanDerWaalsContact C-N 3.31Å; I976-R978 PolarHBondContact O-N 2.83Å
977	M	89.3	Confident	88.4	Confident	7 Å²	7	68.3 Å²	68.3	3%	0.034	37%	0.365	C	S	.	.	H	α-helix	trans	-73	-20.3	-177.4	-70.2	-64.7	-70.5	0	0	113.2	F957 R973 G979 Q980 A982	F957-M977 HydrophobicContact CB-CG 4.29Å; F957-M977 HydrophobicContact CB-SD 4.11Å; R973-M977 HydrophobicContact CG-CG 3.99Å; R973-M977 WeakPolarHBondContact O-CB 3.45Å; R973-M977 VanDerWaalsContact O-CG 3.25Å; R973-M977 WeakPolarHBondContact O-CG 3.08Å; R973-M977 PolarHBondContact O-N 3.14Å; M977-G979 PolarHBondContact O-N 2.96Å; M977-G979 VanDerWaalsContact O-N 3.11Å; M977-Q980 HydrophobicContact CE-CB 3.76Å; M977-Q980 WeakPolarHBondContact O-CB 3.37Å; M977-Q980 WeakPolarHBondContact O-CG 3.32Å; M977-Q980 PolarHBondContact O-N 2.75Å; M977-A982 HydrophobicContact CE-CB 4.38Å
978	R	87.6	Confident	87.9	Confident	140 Å²	140	66.8 Å²	66.8	53%	0.528	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	43.8	176.1	-57.1	-177.9	-170.7	-175.1	0.7	113.6	E945 E946 L947 T974 K975 I976 Q980	E945-R978 PolarHBondContact O-NE 3.28Å; E945-R978 VanDerWaalsContact O-NE 3.09Å; E945-R978 PolarHBondContact O-NH2 2.87Å; E946-R978 VanDerWaalsContact C-NH2 3.33Å; E946-R978 PolarHBondContact O-NH2 3.25Å; L947-R978 PolarHBondContact O-NH2 2.9Å; T974-R978 PolarHBondContact O-N 2.93Å; K975-R978 VanDerWaalsContact O-CG 3.25Å; K975-R978 WeakPolarHBondContact O-CG 3.04Å; I976-R978 VanDerWaalsContact C-N 3.31Å; I976-R978 PolarHBondContact O-N 2.83Å; R978-Q980 VanDerWaalsContact C-N 3.32Å; R978-Q980 PolarHBondContact O-N 2.93Å
979	G	81.7	Confident	87.4	Confident	80 Å²	80	68.5 Å²	68.5	83%	0.825	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	1.3	-179	0	0	0	0	0	115.7	M977	M977-G979 PolarHBondContact O-N 2.96Å; M977-G979 VanDerWaalsContact O-N 3.11Å
980	Q	82.8	Confident	86.8	Confident	120 Å²	120	72.6 Å²	72.6	56%	0.561	38%	0.38	S	S	*	.			trans	-62.3	139	169.7	-68.1	179.4	18.2	0	0	110.6	M977 R978 A982	M977-Q980 HydrophobicContact CE-CB 3.76Å; M977-Q980 WeakPolarHBondContact O-CB 3.37Å; M977-Q980 WeakPolarHBondContact O-CG 3.32Å; M977-Q980 PolarHBondContact O-N 2.75Å; R978-Q980 VanDerWaalsContact C-N 3.32Å; R978-Q980 PolarHBondContact O-N 2.93Å; Q980-A982 PolarHBondContact O-N 2.69Å; Q980-A982 VanDerWaalsContact O-N 3.15Å
981	K	82.9	Confident	86.6	Confident	197 Å²	197	72.1 Å²	72.1	86%	0.857	38%	0.379	S	S	*	.			trans	-71.2	109.6	-177.7	-170.5	176.3	-179.2	180	0	110.4
982	A	82.6	Confident	86.5	Confident	29 Å²	29	75.7 Å²	75.7	24%	0.24	39%	0.388	C	S	.	.			trans	-67.5	151.6	171.7	0	0	0	0	0	111.3	M977 Q980	M977-A982 HydrophobicContact CE-CB 4.38Å; Q980-A982 PolarHBondContact O-N 2.69Å; Q980-A982 VanDerWaalsContact O-N 3.15Å
983	K	85.6	Confident	86.5	Confident	98 Å²	98	79.8 Å²	79.8	43%	0.426	42%	0.415	S	S	.	.			trans	-73.7	146	170.3	-55.1	-61.9	-178.6	178.6	0	109.4	S958 F963 V987	S958-K983 WeakPolarHBondContact O-CB 3.42Å; S958-K983 VanDerWaalsContact O-CG 3.32Å; S958-K983 WeakPolarHBondContact O-CG 3.42Å; S958-K983 PolarHBondContact O-N 3.22Å; F963-K983 WeakPolarHBondContact CE1-O 3.4Å; F963-K983 WeakPolarHBondContact CZ-O 3.5Å; K983-V987 HydrophobicContact CG-CG2 4.15Å
984	T	82.4	Confident	86.5	Confident	118 Å²	118	79.9 Å²	79.9	72%	0.724	42%	0.417	S	S	*	.			trans	-112.2	-13	178.1	51.4	0	0	0	0	112.8	F963	F963-T984 VanDerWaalsContact CZ-C 3.44Å
985	E	84.8	Confident	86.7	Confident	105 Å²	105	80 Å²	80	49%	0.491	42%	0.415	S	S	.	.	S	Bend	trans	-140	173.6	-173.1	-69	178.3	-152.2	0	0	109.7	V987 H990	E985-V987 PolarHBondContact O-N 3.42Å; E985-H990 WeakPolarHBondContact CB-NE2 3.36Å; E985-H990 IonicContact OE2-CE1 3.62Å; E985-H990 PolarHBondContact OE2-CE1 3.11Å; E985-H990 IonicContact OE2-NE2 2.69Å; E985-H990 PolarHBondContact OE2-NE2 3.32Å; E985-H990 VanDerWaalsContact OE2-NE2 3.16Å
986	R	87.1	Confident	86.8	Confident	33 Å²	33	79.2 Å²	79.2	13%	0.125	41%	0.411	C	S	.	.			trans	-59.2	129.1	177.6	-173.5	175.1	68.6	80.1	0.1	110.1	D665 N694 G988 S989 H990	D665-R986 VanDerWaalsContact CG-NH2 3.34Å; D665-R986 IonicContact OD1-CZ 3.11Å; D665-R986 IonicContact OD1-NH1 2.7Å; D665-R986 PolarHBondContact OD1-NH1 3.38Å; D665-R986 IonicContact OD1-NH2 2.83Å; D665-R986 PolarHBondContact OD1-NH2 3.38Å; D665-R986 IonicContact OD2-CZ 3.18Å; D665-R986 IonicContact OD2-NH1 3.16Å; D665-R986 IonicContact OD2-NH2 3.96Å; D665-R986 PolarHBondContact OD2-NH2 3.48Å; N694-R986 WeakPolarHBondContact OD1-CD 3.47Å; N694-R986 VanDerWaalsContact OD1-CG 3.22Å; N694-R986 WeakPolarHBondContact OD1-CG 3.35Å; R986-G988 PolarHBondContact O-N 2.93Å; R986-S989 PolarHBondContact O-N 3.27Å; R986-S989 PolarHBondContact O-OG 3.5Å; R986-H990 PolarHBondContact O-CD2 2.89Å
987	V	84.1	Confident	87	Confident	15 Å²	15	84.3 Å²	84.3	9%	0.091	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-62.8	-41.5	-173.6	-180	0	0	0	0	112.8	N662 K983 E985 S989 H990 M991	N662-V987 HydrophobicContact CB-CB 4.04Å; N662-V987 HydrophobicContact CB-CG1 4.22Å; K983-V987 HydrophobicContact CG-CG2 4.15Å; E985-V987 PolarHBondContact O-N 3.42Å; V987-S989 VanDerWaalsContact C-N 3.28Å; V987-S989 PolarHBondContact O-N 2.87Å; V987-H990 PolarHBondContact O-N 3.12Å; V987-M991 HydrophobicContact CG1-CE 3.47Å; V987-M991 VanDerWaalsContact CG1-CE 3.47Å; V987-M991 HydrophobicContact CG1-SD 4.36Å
988	G	82	Confident	87.2	Confident	3 Å²	3	89.8 Å²	89.8	3%	0.031	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-62.8	-28.1	-175.5	0	0	0	0	0	114.5	R986 H990 M991	R986-G988 PolarHBondContact O-N 2.93Å; G988-H990 PolarHBondContact O-N 3.06Å; G988-M991 PolarHBondContact O-N 3.49Å
989	S	82	Confident	87.6	Confident	59 Å²	59	84 Å²	84	41%	0.413	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-71.4	-12.1	-178.7	48.1	0	0	0	0	114.5	R986 V987	R986-S989 PolarHBondContact O-N 3.27Å; R986-S989 PolarHBondContact O-OG 3.5Å; V987-S989 VanDerWaalsContact C-N 3.28Å; V987-S989 PolarHBondContact O-N 2.87Å
990	H	82.3	Confident	88.2	Confident	119 Å²	119	81.5 Å²	81.5	55%	0.551	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-114.2	3.6	179.4	-50.7	-68.5	0	0	0	113.1	E985 R986 V987 G988	E985-H990 WeakPolarHBondContact CB-NE2 3.36Å; E985-H990 IonicContact OE2-CE1 3.62Å; E985-H990 PolarHBondContact OE2-CE1 3.11Å; E985-H990 IonicContact OE2-NE2 2.69Å; E985-H990 PolarHBondContact OE2-NE2 3.32Å; E985-H990 VanDerWaalsContact OE2-NE2 3.16Å; R986-H990 PolarHBondContact O-CD2 2.89Å; V987-H990 PolarHBondContact O-N 3.12Å; G988-H990 PolarHBondContact O-N 3.06Å
991	M	87.4	Confident	88.8	Confident	77 Å²	77	83.1 Å²	83.1	38%	0.379	42%	0.419	S	S	.	.	S	Bend	trans	-85.4	136.2	176.4	-68.7	178.4	161.6	0	0	109.8	P664 V987 G988	P664-M991 HydrophobicContact CB-CB 4.11Å; P664-M991 HydrophobicContact CG-CB 3.86Å; P664-M991 HydrophobicContact CG-SD 4.2Å; V987-M991 HydrophobicContact CG1-CE 3.47Å; V987-M991 VanDerWaalsContact CG1-CE 3.47Å; V987-M991 HydrophobicContact CG1-SD 4.36Å; G988-M991 PolarHBondContact O-N 3.49Å
992	E	90.8	Very high	89.3	Confident	162 Å²	162	78.8 Å²	78.8	76%	0.757	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-58.7	142	170.7	-69.7	-61	144.3	0	0	110.7	P664 F994	P664-E992 WeakPolarHBondContact CG-O 3.34Å; E992-F994 PolarHBondContact O-N 2.88Å
993	P	92.7	Very high	89.9	Confident	93 Å²	93	77.8 Å²	77.8	60%	0.604	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-52.9	135.4	176.1	-26.6	34.6	0	0	0	112	D995	P993-D995 PolarHBondContact O-N 2.92Å
994	F	93.1	Very high	90.2	Very high	71 Å²	71	78.4 Å²	78.4	31%	0.311	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-71.8	131.2	179.4	-167.9	-91.7	0	0	0	111.6	P664 N666 I667 E992 F996 L999 A1020	P664-F994 HydrophobicContact CG-CB 4.28Å; N666-F994 PolarHBondContact ND2-N 3.36Å; N666-F994 PolarHBondContact ND2-O 3.24Å; N666-F994 PolarHBondContact OD1-N 2.91Å; I667-F994 HydrophobicContact CD1-CB 3.64Å; I667-F994 HydrophobicContact CD1-CD1 4.22Å; I667-F994 HydrophobicContact CD1-CD2 3.9Å; I667-F994 HydrophobicContact CD1-CG 3.65Å; I667-F994 HydrophobicContact CG1-CB 3.62Å; I667-F994 HydrophobicContact CG1-CG 4.11Å; E992-F994 PolarHBondContact O-N 2.88Å; F994-F996 HydrophobicContact CD1-CD1 4.08Å; F994-F996 HydrophobicContact CD1-CD2 4.43Å; F994-F996 HydrophobicContact CD1-CE1 4.1Å; F994-F996 HydrophobicContact CD1-CE2 4.44Å; F994-F996 HydrophobicContact CD1-CG 4.26Å; F994-F996 HydrophobicContact CD1-CZ 4.29Å; F994-F996 HydrophobicContact CE1-CD1 4.29Å; F994-F996 HydrophobicContact CE1-CE1 4.45Å; F994-F996 PolarHBondContact O-N 2.82Å; F994-L999 HydrophobicContact CE1-CB 4.19Å; F994-L999 HydrophobicContact CE1-CD2 3.76Å; F994-L999 HydrophobicContact CZ-CD2 4.05Å; F994-A1020 HydrophobicContact CD1-CB 4.24Å; F994-A1020 HydrophobicContact CE1-CB 3.74Å; F994-A1020 HydrophobicContact CZ-CB 3.93Å
995	D	95.8	Very high	90.6	Very high	86 Å²	86	79.4 Å²	79.4	46%	0.46	39%	0.391	S	S	.	.			trans	-88.5	95.1	-179	-176	-13.5	0	0	0	111.3	P993 D997 K998 L999	P993-D995 PolarHBondContact O-N 2.92Å; D995-D997 VanDerWaalsContact C-N 3.35Å; D995-D997 PolarHBondContact OD1-N 2.83Å; D995-D997 VanDerWaalsContact OD1-N 3.09Å; D995-K998 HydrophobicContact CB-CB 4.08Å; D995-K998 PolarHBondContact OD1-N 2.98Å; D995-K998 VanDerWaalsContact OD2-CB 3.31Å; D995-K998 WeakPolarHBondContact OD2-CB 3.4Å; D995-L999 PolarHBondContact O-N 3.09Å
996	F	94.9	Very high	90.9	Very high	40 Å²	40	79.2 Å²	79.2	18%	0.175	39%	0.389	C	S	.	.	H	α-helix	trans	-68	-30.3	177.4	-71.6	-75.6	0	0	0	113.2	I667 K670 F994 L999 A1000 L1016 L1017 A1020	I667-F996 HydrophobicContact CG1-CZ 4.04Å; K670-F996 HydrophobicContact CB-CE2 4.45Å; K670-F996 HydrophobicContact CB-CZ 4.45Å; K670-F996 HydrophobicContact CG-CE2 4.49Å; K670-F996 HydrophobicContact CG-CZ 4.47Å; F994-F996 HydrophobicContact CD1-CD1 4.08Å; F994-F996 HydrophobicContact CD1-CD2 4.43Å; F994-F996 HydrophobicContact CD1-CE1 4.1Å; F994-F996 HydrophobicContact CD1-CE2 4.44Å; F994-F996 HydrophobicContact CD1-CG 4.26Å; F994-F996 HydrophobicContact CD1-CZ 4.29Å; F994-F996 HydrophobicContact CE1-CD1 4.29Å; F994-F996 HydrophobicContact CE1-CE1 4.45Å; F994-F996 PolarHBondContact O-N 2.82Å; F996-L999 PolarHBondContact O-N 2.99Å; F996-A1000 WeakPolarHBondContact O-CB 3.31Å; F996-A1000 PolarHBondContact O-N 2.78Å; F996-L1016 HydrophobicContact CD1-CB 4.05Å; F996-L1017 HydrophobicContact CE1-CD2 4.01Å; F996-L1017 HydrophobicContact CE1-CG 4.49Å; F996-L1017 HydrophobicContact CZ-CD2 3.91Å; F996-A1020 HydrophobicContact CE1-CB 4.13Å
997	D	94.4	Very high	90.9	Very high	119 Å²	119	79 Å²	79	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-69.1	-40.2	-180	-73.4	-28.2	0	0	0	111.3	D995 A1000 K1001	D995-D997 VanDerWaalsContact C-N 3.35Å; D995-D997 PolarHBondContact OD1-N 2.83Å; D995-D997 VanDerWaalsContact OD1-N 3.09Å; D997-A1000 PolarHBondContact O-N 3.31Å; D997-K1001 WeakPolarHBondContact O-CG 3.43Å; D997-K1001 PolarHBondContact O-N 2.94Å; D997-K1001 VanDerWaalsContact O-N 3.09Å
998	K	95.4	Very high	91	Very high	121 Å²	121	86.2 Å²	86.2	53%	0.526	42%	0.419	S	S	.	.	H	α-helix	trans	-62.6	-44.4	172.7	-178.3	178.9	-179.9	-178.3	0	111.3	D995 K1001 Q1002	D995-K998 HydrophobicContact CB-CB 4.08Å; D995-K998 PolarHBondContact OD1-N 2.98Å; D995-K998 VanDerWaalsContact OD2-CB 3.31Å; D995-K998 WeakPolarHBondContact OD2-CB 3.4Å; K998-K1001 PolarHBondContact O-N 2.8Å; K998-Q1002 WeakPolarHBondContact O-CG 3.24Å; K998-Q1002 PolarHBondContact O-N 2.7Å; K998-Q1002 VanDerWaalsContact O-N 3.1Å
999	L	94.9	Very high	91.2	Very high	20 Å²	20	89.6 Å²	89.6	11%	0.105	43%	0.431	C	S	.	.	H	α-helix	trans	-62	-43.8	176.8	-179	60.9	0	0	0	111.5	F994 D995 F996 K1001 Q1002 L1003 L1016 A1019 A1020	F994-L999 HydrophobicContact CE1-CB 4.19Å; F994-L999 HydrophobicContact CE1-CD2 3.76Å; F994-L999 HydrophobicContact CZ-CD2 4.05Å; D995-L999 PolarHBondContact O-N 3.09Å; F996-L999 PolarHBondContact O-N 2.99Å; L999-K1001 PolarHBondContact O-N 3.14Å; L999-Q1002 PolarHBondContact O-N 3.22Å; L999-L1003 HydrophobicContact CD1-CD1 4.05Å; L999-L1003 HydrophobicContact CD1-CG 4.03Å; L999-L1003 HydrophobicContact CG-CD1 3.97Å; L999-L1003 HydrophobicContact CG-CG 4.34Å; L999-L1003 WeakPolarHBondContact O-CG 3.43Å; L999-L1003 PolarHBondContact O-N 3.38Å; L999-L1016 HydrophobicContact CB-CD2 4.48Å; L999-L1016 HydrophobicContact CD2-CD2 4.33Å; L999-L1016 WeakPolarHBondContact CD2-O 2.88Å; L999-L1016 HydrophobicContact CG-CD2 4.12Å; L999-A1019 HydrophobicContact CD2-CB 3.97Å; L999-A1020 HydrophobicContact CD2-CB 4.13Å
1000	A	95.1	Very high	91.5	Very high	27 Å²	27	92.2 Å²	92.2	22%	0.223	44%	0.44	C	S	.	.	H	α-helix	trans	-59	-44.5	177.7	0	0	0	0	0	112.3	F996 D997 L1003 K1004 L1016	F996-A1000 WeakPolarHBondContact O-CB 3.31Å; F996-A1000 PolarHBondContact O-N 2.78Å; D997-A1000 PolarHBondContact O-N 3.31Å; A1000-L1003 PolarHBondContact O-N 3.18Å; A1000-K1004 VanDerWaalsContact O-CB 3.26Å; A1000-K1004 WeakPolarHBondContact O-CB 3.47Å; A1000-K1004 PolarHBondContact O-N 3.04Å; A1000-L1016 HydrophobicContact CB-CD1 4.1Å; A1000-L1016 HydrophobicContact CB-CD2 3.78Å
1001	K	94.6	Very high	91.9	Very high	153 Å²	153	87.7 Å²	87.7	67%	0.665	42%	0.419	S	S	*	.	H	α-helix	trans	-61.3	-45.9	175.8	-72.1	171.5	-175.7	170	0	111.9	D997 K998 L999 K1004 E1005	D997-K1001 WeakPolarHBondContact O-CG 3.43Å; D997-K1001 PolarHBondContact O-N 2.94Å; D997-K1001 VanDerWaalsContact O-N 3.09Å; K998-K1001 PolarHBondContact O-N 2.8Å; L999-K1001 PolarHBondContact O-N 3.14Å; K1001-K1004 PolarHBondContact O-N 3.19Å; K1001-E1005 WeakPolarHBondContact O-CB 3.16Å; K1001-E1005 PolarHBondContact O-N 3.12Å
1002	Q	94.1	Very high	92.3	Very high	106 Å²	106	86.8 Å²	86.8	50%	0.495	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-45.2	179.2	-72	175.9	-11.2	0	0	112.3	K998 L999 E1005 K1006	K998-Q1002 WeakPolarHBondContact O-CG 3.24Å; K998-Q1002 PolarHBondContact O-N 2.7Å; K998-Q1002 VanDerWaalsContact O-N 3.1Å; L999-Q1002 PolarHBondContact O-N 3.22Å; Q1002-E1005 PolarHBondContact O-N 2.6Å; Q1002-K1006 WeakPolarHBondContact O-CB 3.22Å; Q1002-K1006 PolarHBondContact O-N 3.11Å
1003	L	93.9	Very high	92.5	Very high	9 Å²	9	82.3 Å²	82.3	5%	0.047	40%	0.395	C	S	.	.	H	α-helix	trans	-67.7	-43.2	178.9	-68.4	176.8	0	0	0	111.8	L999 A1000 E1005 K1006 F1007 F1011 L1016 A1019 F1026	L999-L1003 HydrophobicContact CD1-CD1 4.05Å; L999-L1003 HydrophobicContact CD1-CG 4.03Å; L999-L1003 HydrophobicContact CG-CD1 3.97Å; L999-L1003 HydrophobicContact CG-CG 4.34Å; L999-L1003 WeakPolarHBondContact O-CG 3.43Å; L999-L1003 PolarHBondContact O-N 3.38Å; A1000-L1003 PolarHBondContact O-N 3.18Å; L1003-E1005 VanDerWaalsContact C-N 3.3Å; L1003-E1005 PolarHBondContact O-N 2.99Å; L1003-K1006 PolarHBondContact O-N 2.77Å; L1003-K1006 VanDerWaalsContact O-N 3.16Å; L1003-F1007 HydrophobicContact CD2-CD2 4.3Å; L1003-F1007 HydrophobicContact CD2-CE2 4.12Å; L1003-F1007 PolarHBondContact O-N 3.29Å; L1003-F1011 HydrophobicContact CB-CD1 4.41Å; L1003-F1011 HydrophobicContact CB-CD2 3.55Å; L1003-F1011 HydrophobicContact CB-CE1 4.37Å; L1003-F1011 HydrophobicContact CB-CE2 3.55Å; L1003-F1011 HydrophobicContact CB-CG 4.01Å; L1003-F1011 HydrophobicContact CB-CZ 3.97Å; L1003-F1011 HydrophobicContact CD1-CD1 4.26Å; L1003-F1011 HydrophobicContact CD1-CG 4.28Å; L1003-F1011 VanDerWaalsContact O-CE2 3.28Å; L1003-F1011 WeakPolarHBondContact O-CE2 3.26Å; L1003-L1016 HydrophobicContact CD1-CD2 4.06Å; L1003-A1019 HydrophobicContact CD1-CB 3.77Å; L1003-F1026 HydrophobicContact CD1-CE1 4.08Å; L1003-F1026 HydrophobicContact CD2-CD1 4.5Å; L1003-F1026 HydrophobicContact CD2-CE1 4.31Å
1004	K	92.5	Very high	92.7	Very high	110 Å²	110	81.1 Å²	81.1	48%	0.478	38%	0.378	S	S	.	.	H	α-helix	trans	-59.7	-40.7	175.6	-177.3	166.7	-178.9	157.9	0	111.6	A1000 K1001 K1008 D1010	A1000-K1004 VanDerWaalsContact O-CB 3.26Å; A1000-K1004 WeakPolarHBondContact O-CB 3.47Å; A1000-K1004 PolarHBondContact O-N 3.04Å; K1001-K1004 PolarHBondContact O-N 3.19Å; K1004-K1008 VanDerWaalsContact O-CA 3.27Å; K1004-K1008 WeakPolarHBondContact O-CA 3.32Å; K1004-K1008 PolarHBondContact O-N 3.26Å; K1004-D1010 WeakPolarHBondContact CD-OD1 3.4Å; K1004-D1010 VanDerWaalsContact CE-OD1 3.26Å; K1004-D1010 WeakPolarHBondContact CE-OD1 3.44Å; K1004-D1010 IonicContact NZ-OD1 3.54Å; K1004-D1010 PolarHBondContact NZ-OD1 2.94Å
1005	E	91	Very high	92.8	Very high	140 Å²	140	78.4 Å²	78.4	65%	0.654	37%	0.367	S	S	*	.	H	α-helix	trans	-64	-43.8	174.8	-172.8	177.2	-177.3	0	0	112	K1001 Q1002 L1003 K1008	K1001-E1005 WeakPolarHBondContact O-CB 3.16Å; K1001-E1005 PolarHBondContact O-N 3.12Å; Q1002-E1005 PolarHBondContact O-N 2.6Å; L1003-E1005 VanDerWaalsContact C-N 3.3Å; L1003-E1005 PolarHBondContact O-N 2.99Å; E1005-K1008 WeakPolarHBondContact O-CD 3.45Å; E1005-K1008 WeakPolarHBondContact O-CE 3.31Å; E1005-K1008 PolarHBondContact O-NZ 3.24Å
1006	K	90.9	Very high	92.8	Very high	101 Å²	101	75.2 Å²	75.2	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-69.8	-47.9	-177.7	-175.2	176.7	175	-169	0	113.1	Q1002 L1003 N1027 E1031	Q1002-K1006 WeakPolarHBondContact O-CB 3.22Å; Q1002-K1006 PolarHBondContact O-N 3.11Å; L1003-K1006 PolarHBondContact O-N 2.77Å; L1003-K1006 VanDerWaalsContact O-N 3.16Å; K1006-N1027 PolarHBondContact NZ-OD1 2.88Å; K1006-E1031 WeakPolarHBondContact CE-OE1 3.04Å; K1006-E1031 IonicContact NZ-OE1 3.22Å; K1006-E1031 PolarHBondContact NZ-OE1 3.24Å
1007	F	87.6	Confident	92.9	Very high	29 Å²	29	73.4 Å²	73.4	13%	0.127	34%	0.342	C	S	.	.	H	α-helix	trans	-104.9	-10.2	-169.5	-69.1	-72.2	0	0	0	114.8	L1003 R1009 F1011 N1027 E1030 E1031	L1003-F1007 HydrophobicContact CD2-CD2 4.3Å; L1003-F1007 HydrophobicContact CD2-CE2 4.12Å; L1003-F1007 PolarHBondContact O-N 3.29Å; F1007-R1009 VanDerWaalsContact C-N 3.25Å; F1007-R1009 HydrophobicContact CB-CG 4.4Å; F1007-R1009 PolarHBondContact O-N 2.79Å; F1007-F1011 HydrophobicContact CB-CE2 3.95Å; F1007-F1011 HydrophobicContact CB-CZ 3.56Å; F1007-F1011 HydrophobicContact CD2-CE1 4.4Å; F1007-F1011 HydrophobicContact CD2-CE2 4.32Å; F1007-F1011 AromaticContact CD2-CZ 3.58Å; F1007-F1011 HydrophobicContact CD2-CZ 3.58Å; F1007-F1011 AromaticContact CG-CZ 3.87Å; F1007-F1011 HydrophobicContact CG-CZ 3.87Å; F1007-N1027 WeakPolarHBondContact CE2-OD1 3.25Å; F1007-E1030 HydrophobicContact CD1-CB 4.06Å; F1007-E1030 HydrophobicContact CE1-CB 3.51Å; F1007-E1030 HydrophobicContact CE2-CB 4.04Å; F1007-E1030 HydrophobicContact CE2-CG 4.41Å; F1007-E1030 HydrophobicContact CZ-CB 3.5Å; F1007-E1030 VanDerWaalsContact CZ-CB 3.5Å; F1007-E1030 HydrophobicContact CZ-CG 4.33Å; F1007-E1031 HydrophobicContact CE1-CG 3.89Å; F1007-E1031 HydrophobicContact CZ-CG 4.29Å
1008	K	84.8	Confident	93	Very high	165 Å²	165	67.8 Å²	67.8	72%	0.717	31%	0.312	S	S	*	.	S	Bend	trans	57.2	35.9	179.6	-49.6	-56.1	-172.5	-162.2	0	113.4	K1004 E1005	K1004-K1008 VanDerWaalsContact O-CA 3.27Å; K1004-K1008 WeakPolarHBondContact O-CA 3.32Å; K1004-K1008 PolarHBondContact O-N 3.26Å; E1005-K1008 WeakPolarHBondContact O-CD 3.45Å; E1005-K1008 WeakPolarHBondContact O-CE 3.31Å; E1005-K1008 PolarHBondContact O-NZ 3.24Å
1009	R	86.8	Confident	93.1	Very high	75 Å²	75	62.2 Å²	62.2	28%	0.283	29%	0.289	S	S	.	.	S	Bend	trans	-133.5	160.7	168.7	72.8	173.4	-171.6	89.8	-13.4	110.1	F1007 F1011 D1015 E1030	F1007-R1009 VanDerWaalsContact C-N 3.25Å; F1007-R1009 HydrophobicContact CB-CG 4.4Å; F1007-R1009 PolarHBondContact O-N 2.79Å; R1009-F1011 HydrophobicContact CG-CD2 4.28Å; R1009-F1011 HydrophobicContact CG-CE1 4.16Å; R1009-F1011 HydrophobicContact CG-CE2 3.63Å; R1009-F1011 HydrophobicContact CG-CZ 3.58Å; R1009-F1011 VanDerWaalsContact CZ-CD1 3.48Å; R1009-F1011 VanDerWaalsContact NH2-CE1 3.33Å; R1009-F1011 VanDerWaalsContact O-CD2 3.23Å; R1009-F1011 WeakPolarHBondContact O-CD2 3.23Å; R1009-F1011 VanDerWaalsContact O-CE2 3.22Å; R1009-F1011 WeakPolarHBondContact O-CE2 3.32Å; R1009-D1015 IonicContact CZ-OD2 2.95Å; R1009-D1015 IonicContact NH1-OD2 2.78Å; R1009-D1015 PolarHBondContact NH1-OD2 3.42Å; R1009-D1015 IonicContact NH2-OD1 3.74Å; R1009-D1015 PolarHBondContact NH2-OD1 2.89Å; R1009-D1015 VanDerWaalsContact NH2-OD1 3.12Å; R1009-D1015 IonicContact NH2-OD2 2.65Å; R1009-D1015 PolarHBondContact NH2-OD2 3.19Å; R1009-E1030 IonicContact CZ-OE1 3.62Å; R1009-E1030 IonicContact CZ-OE2 2.64Å; R1009-E1030 IonicContact NE-OE1 3.64Å; R1009-E1030 IonicContact NE-OE2 3.47Å; R1009-E1030 PolarHBondContact NE-OE2 3.07Å; R1009-E1030 IonicContact NH2-OE1 3.66Å; R1009-E1030 PolarHBondContact NH2-OE1 3.32Å; R1009-E1030 IonicContact NH2-OE2 3.7Å; R1009-E1030 PolarHBondContact NH2-OE2 3.42Å; R1009-E1030 VanDerWaalsContact NH2-OE2 3.12Å
1010	D	87.5	Confident	93.1	Very high	114 Å²	114	61.9 Å²	61.9	61%	0.61	29%	0.288	S	S	*	.			trans	-76.7	148.5	168.5	-63.5	-47.8	0	0	0	110.2	K1004	K1004-D1010 WeakPolarHBondContact CD-OD1 3.4Å; K1004-D1010 VanDerWaalsContact CE-OD1 3.26Å; K1004-D1010 WeakPolarHBondContact CE-OD1 3.44Å; K1004-D1010 IonicContact NZ-OD1 3.54Å; K1004-D1010 PolarHBondContact NZ-OD1 2.94Å
1011	F	92.5	Very high	93	Very high	24 Å²	24	60.9 Å²	60.9	11%	0.105	28%	0.279	C	S	.	.			trans	-125.1	127	-178.1	-69.3	-87.6	0	0	0	108.1	L1003 F1007 R1009 D1015 L1016 F1026 E1030	L1003-F1011 HydrophobicContact CB-CD1 4.41Å; L1003-F1011 HydrophobicContact CB-CD2 3.55Å; L1003-F1011 HydrophobicContact CB-CE1 4.37Å; L1003-F1011 HydrophobicContact CB-CE2 3.55Å; L1003-F1011 HydrophobicContact CB-CG 4.01Å; L1003-F1011 HydrophobicContact CB-CZ 3.97Å; L1003-F1011 HydrophobicContact CD1-CD1 4.26Å; L1003-F1011 HydrophobicContact CD1-CG 4.28Å; L1003-F1011 VanDerWaalsContact O-CE2 3.28Å; L1003-F1011 WeakPolarHBondContact O-CE2 3.26Å; F1007-F1011 HydrophobicContact CB-CE2 3.95Å; F1007-F1011 HydrophobicContact CB-CZ 3.56Å; F1007-F1011 HydrophobicContact CD2-CE1 4.4Å; F1007-F1011 HydrophobicContact CD2-CE2 4.32Å; F1007-F1011 AromaticContact CD2-CZ 3.58Å; F1007-F1011 HydrophobicContact CD2-CZ 3.58Å; F1007-F1011 AromaticContact CG-CZ 3.87Å; F1007-F1011 HydrophobicContact CG-CZ 3.87Å; R1009-F1011 HydrophobicContact CG-CD2 4.28Å; R1009-F1011 HydrophobicContact CG-CE1 4.16Å; R1009-F1011 HydrophobicContact CG-CE2 3.63Å; R1009-F1011 HydrophobicContact CG-CZ 3.58Å; R1009-F1011 VanDerWaalsContact CZ-CD1 3.48Å; R1009-F1011 VanDerWaalsContact NH2-CE1 3.33Å; R1009-F1011 VanDerWaalsContact O-CD2 3.23Å; R1009-F1011 WeakPolarHBondContact O-CD2 3.23Å; R1009-F1011 VanDerWaalsContact O-CE2 3.22Å; R1009-F1011 WeakPolarHBondContact O-CE2 3.32Å; F1011-D1015 HydrophobicContact CB-CB 3.96Å; F1011-D1015 HydrophobicContact CD1-CB 3.72Å; F1011-D1015 HydrophobicContact CG-CB 4.36Å; F1011-L1016 HydrophobicContact CB-CD2 4.25Å; F1011-F1026 HydrophobicContact CD1-CE1 4.2Å; F1011-F1026 AromaticContact CD1-CZ 3.97Å; F1011-F1026 HydrophobicContact CD1-CZ 3.97Å; F1011-F1026 AromaticContact CE1-CE1 3.84Å; F1011-F1026 HydrophobicContact CE1-CE1 3.84Å; F1011-F1026 AromaticContact CE1-CZ 3.86Å; F1011-F1026 HydrophobicContact CE1-CZ 3.86Å; F1011-E1030 HydrophobicContact CE1-CG 4.39Å
1012	D	94.2	Very high	92.9	Very high	57 Å²	57	54.1 Å²	54.1	31%	0.305	25%	0.25	S	C	.	.			trans	-89.8	-179.9	178.6	65.2	42.2	0	0	0	112.2	R1014 D1015 L1016	D1012-R1014 PolarHBondContact O-N 3.2Å; D1012-R1014 VanDerWaalsContact O-N 3.16Å; D1012-R1014 WeakPolarHBondContact OD1-CA 3.46Å; D1012-R1014 WeakPolarHBondContact OD1-CB 3.07Å; D1012-R1014 PolarHBondContact OD1-N 3.18Å; D1012-R1014 IonicContact OD1-NE 3.62Å; D1012-R1014 PolarHBondContact OD1-NE 3.44Å; D1012-R1014 IonicContact OD2-CZ 2.73Å; D1012-R1014 VanDerWaalsContact OD2-CZ 3.3Å; D1012-R1014 IonicContact OD2-NE 2.83Å; D1012-R1014 PolarHBondContact OD2-NE 3.05Å; D1012-R1014 IonicContact OD2-NH2 3.24Å; D1012-R1014 PolarHBondContact OD2-NH2 2.72Å; D1012-D1015 WeakPolarHBondContact O-CB 3.34Å; D1012-D1015 PolarHBondContact O-N 3.42Å; D1012-D1015 PolarHBondContact OD1-N 3.32Å; D1012-D1015 VanDerWaalsContact OD1-N 3.14Å; D1012-L1016 VanDerWaalsContact O-CG 3.3Å; D1012-L1016 WeakPolarHBondContact O-CG 3.43Å; D1012-L1016 PolarHBondContact O-N 2.97Å
1013	E	95.4	Very high	92.9	Very high	69 Å²	69	52.7 Å²	52.7	32%	0.322	25%	0.25	S	C	.	.	H	α-helix	trans	-56.2	-32.8	-177.8	-56.5	178.5	120.4	0	0	113	K670 V674 K677 L1017	K670-E1013 WeakPolarHBondContact CE-OE1 3.48Å; K670-E1013 IonicContact NZ-OE1 3.58Å; K670-E1013 PolarHBondContact NZ-OE1 3.49Å; V674-E1013 HydrophobicContact CG2-CB 4.08Å; K677-E1013 IonicContact NZ-OE2 2.8Å; K677-E1013 PolarHBondContact NZ-OE2 3.38Å; E1013-L1017 WeakPolarHBondContact O-CB 3.36Å; E1013-L1017 VanDerWaalsContact O-CG 3.28Å; E1013-L1017 WeakPolarHBondContact O-CG 3.47Å; E1013-L1017 PolarHBondContact O-N 3.37Å
1014	R	96.4	Very high	92.9	Very high	68 Å²	68	59.1 Å²	59.1	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-72.4	-43.1	-179	-55.8	167.5	-67.4	-170.5	1.9	110.9	W633 E637 V674 D1012 S1018	W633-R1014 HydrophobicContact CB-CB 4.3Å; W633-R1014 HydrophobicContact CB-CG 4.48Å; W633-R1014 HydrophobicContact CD2-CB 3.88Å; W633-R1014 HydrophobicContact CD2-CG 4.02Å; W633-R1014 HydrophobicContact CE3-CG 4.19Å; W633-R1014 HydrophobicContact CG-CB 3.75Å; W633-R1014 HydrophobicContact CG-CG 4.16Å; W633-R1014 PolarHBondContact NE1-O 2.82Å; E637-R1014 VanDerWaalsContact OE1-CD 3.29Å; E637-R1014 WeakPolarHBondContact OE1-CD 3.42Å; E637-R1014 IonicContact OE1-CZ 3.83Å; E637-R1014 IonicContact OE1-NE 2.75Å; E637-R1014 IonicContact OE1-NH1 3.15Å; E637-R1014 PolarHBondContact OE1-NH1 2.91Å; E637-R1014 IonicContact OE2-NH1 3.73Å; E637-R1014 PolarHBondContact OE2-NH1 2.83Å; V674-R1014 HydrophobicContact CG1-CG 3.86Å; D1012-R1014 PolarHBondContact O-N 3.2Å; D1012-R1014 VanDerWaalsContact O-N 3.16Å; D1012-R1014 WeakPolarHBondContact OD1-CA 3.46Å; D1012-R1014 WeakPolarHBondContact OD1-CB 3.07Å; D1012-R1014 PolarHBondContact OD1-N 3.18Å; D1012-R1014 IonicContact OD1-NE 3.62Å; D1012-R1014 PolarHBondContact OD1-NE 3.44Å; D1012-R1014 IonicContact OD2-CZ 2.73Å; D1012-R1014 VanDerWaalsContact OD2-CZ 3.3Å; D1012-R1014 IonicContact OD2-NE 2.83Å; D1012-R1014 PolarHBondContact OD2-NE 3.05Å; D1012-R1014 IonicContact OD2-NH2 3.24Å; D1012-R1014 PolarHBondContact OD2-NH2 2.72Å; R1014-S1018 WeakPolarHBondContact O-CB 3.36Å; R1014-S1018 PolarHBondContact O-N 3.45Å; R1014-S1018 PolarHBondContact O-OG 3.49Å
1015	D	95.9	Very high	93	Very high	14 Å²	14	54 Å²	54	8%	0.075	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-47	173.5	-77.2	-40.7	0	0	0	110.7	R1009 F1011 D1012 L1017 S1018 A1019 F1026	R1009-D1015 IonicContact CZ-OD2 2.95Å; R1009-D1015 IonicContact NH1-OD2 2.78Å; R1009-D1015 PolarHBondContact NH1-OD2 3.42Å; R1009-D1015 IonicContact NH2-OD1 3.74Å; R1009-D1015 PolarHBondContact NH2-OD1 2.89Å; R1009-D1015 VanDerWaalsContact NH2-OD1 3.12Å; R1009-D1015 IonicContact NH2-OD2 2.65Å; R1009-D1015 PolarHBondContact NH2-OD2 3.19Å; F1011-D1015 HydrophobicContact CB-CB 3.96Å; F1011-D1015 HydrophobicContact CD1-CB 3.72Å; F1011-D1015 HydrophobicContact CG-CB 4.36Å; D1012-D1015 WeakPolarHBondContact O-CB 3.34Å; D1012-D1015 PolarHBondContact O-N 3.42Å; D1012-D1015 PolarHBondContact OD1-N 3.32Å; D1012-D1015 VanDerWaalsContact OD1-N 3.14Å; D1015-L1017 PolarHBondContact O-N 2.95Å; D1015-S1018 PolarHBondContact O-N 2.93Å; D1015-A1019 WeakPolarHBondContact O-CB 3.42Å; D1015-A1019 PolarHBondContact O-N 3.41Å; D1015-F1026 HydrophobicContact CB-CE2 4.18Å; D1015-F1026 HydrophobicContact CB-CZ 3.83Å
1016	L	96.9	Very high	93.3	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-41.5	-178.9	-65.2	176.7	0	0	0	112.2	F996 L999 A1000 L1003 F1011 D1012 A1019 A1020	F996-L1016 HydrophobicContact CD1-CB 4.05Å; L999-L1016 HydrophobicContact CB-CD2 4.48Å; L999-L1016 HydrophobicContact CD2-CD2 4.33Å; L999-L1016 WeakPolarHBondContact CD2-O 2.88Å; L999-L1016 HydrophobicContact CG-CD2 4.12Å; A1000-L1016 HydrophobicContact CB-CD1 4.1Å; A1000-L1016 HydrophobicContact CB-CD2 3.78Å; L1003-L1016 HydrophobicContact CD1-CD2 4.06Å; F1011-L1016 HydrophobicContact CB-CD2 4.25Å; D1012-L1016 VanDerWaalsContact O-CG 3.3Å; D1012-L1016 WeakPolarHBondContact O-CG 3.43Å; D1012-L1016 PolarHBondContact O-N 2.97Å; L1016-A1019 PolarHBondContact O-N 3.1Å; L1016-A1020 VanDerWaalsContact O-CB 3.27Å; L1016-A1020 WeakPolarHBondContact O-CB 3.33Å; L1016-A1020 PolarHBondContact O-N 2.99Å
1017	L	96.6	Very high	93.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-44	174.3	-76.4	167.4	0	0	0	111.9	W633 I667 K670 F671 V674 F996 E1013 D1015 A1019 A1020 L1021	W633-L1017 HydrophobicContact CH2-CD1 4.43Å; W633-L1017 HydrophobicContact CZ2-CB 4.39Å; W633-L1017 HydrophobicContact CZ2-CD1 4.27Å; I667-L1017 HydrophobicContact CG2-CD2 4.36Å; K670-L1017 HydrophobicContact CB-CD2 4.17Å; K670-L1017 HydrophobicContact CG-CD1 4.4Å; K670-L1017 HydrophobicContact CG-CD2 4.13Å; F671-L1017 HydrophobicContact CB-CD2 4.21Å; V674-L1017 HydrophobicContact CB-CD1 3.63Å; V674-L1017 HydrophobicContact CG1-CD1 3.94Å; V674-L1017 HydrophobicContact CG2-CD1 3.65Å; F996-L1017 HydrophobicContact CE1-CD2 4.01Å; F996-L1017 HydrophobicContact CE1-CG 4.49Å; F996-L1017 HydrophobicContact CZ-CD2 3.91Å; E1013-L1017 WeakPolarHBondContact O-CB 3.36Å; E1013-L1017 VanDerWaalsContact O-CG 3.28Å; E1013-L1017 WeakPolarHBondContact O-CG 3.47Å; E1013-L1017 PolarHBondContact O-N 3.37Å; D1015-L1017 PolarHBondContact O-N 2.95Å; L1017-A1019 VanDerWaalsContact C-N 3.32Å; L1017-A1019 PolarHBondContact O-N 3.19Å; L1017-A1020 PolarHBondContact O-N 2.95Å; L1017-L1021 WeakPolarHBondContact O-CB 3.4Å; L1017-L1021 VanDerWaalsContact O-CG 3.26Å; L1017-L1021 WeakPolarHBondContact O-CG 3.47Å; L1017-L1021 PolarHBondContact O-N 2.83Å
1018	S	96.6	Very high	93.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-44.2	176.3	-53.6	0	0	0	0	111.5	W633 R1014 D1015 Y1022	W633-S1018 PolarHBondContact NE1-OG 2.85Å; R1014-S1018 WeakPolarHBondContact O-CB 3.36Å; R1014-S1018 PolarHBondContact O-N 3.45Å; R1014-S1018 PolarHBondContact O-OG 3.49Å; D1015-S1018 PolarHBondContact O-N 2.93Å; S1018-Y1022 WeakPolarHBondContact O-CA 3.28Å; S1018-Y1022 PolarHBondContact O-N 2.91Å
1019	A	96.2	Very high	94.4	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-34.5	177.4	0	0	0	0	0	113.1	L999 L1003 D1015 L1016 L1017 P1023 F1026	L999-A1019 HydrophobicContact CD2-CB 3.97Å; L1003-A1019 HydrophobicContact CD1-CB 3.77Å; D1015-A1019 WeakPolarHBondContact O-CB 3.42Å; D1015-A1019 PolarHBondContact O-N 3.41Å; L1016-A1019 PolarHBondContact O-N 3.1Å; L1017-A1019 VanDerWaalsContact C-N 3.32Å; L1017-A1019 PolarHBondContact O-N 3.19Å; A1019-P1023 WeakPolarHBondContact O-CA 3.23Å; A1019-P1023 VanDerWaalsContact O-CB 3.31Å; A1019-P1023 WeakPolarHBondContact O-CB 3.13Å; A1019-P1023 WeakPolarHBondContact O-CD 3.39Å; A1019-P1023 VanDerWaalsContact O-N 3.11Å; A1019-F1026 HydrophobicContact CB-CB 4.24Å; A1019-F1026 HydrophobicContact CB-CD1 3.54Å; A1019-F1026 HydrophobicContact CB-CD2 4.45Å; A1019-F1026 HydrophobicContact CB-CE1 3.96Å; A1019-F1026 HydrophobicContact CB-CG 3.81Å
1020	A	95	Very high	94.8	Very high	12 Å²	12	36.7 Å²	36.7	10%	0.099	18%	0.183	C	C	.	.	H	α-helix	trans	-71.3	-41.5	176.3	0	0	0	0	0	111.9	I667 F994 F996 L999 L1016 L1017	I667-A1020 HydrophobicContact CD1-CB 4.19Å; F994-A1020 HydrophobicContact CD1-CB 4.24Å; F994-A1020 HydrophobicContact CE1-CB 3.74Å; F994-A1020 HydrophobicContact CZ-CB 3.93Å; F996-A1020 HydrophobicContact CE1-CB 4.13Å; L999-A1020 HydrophobicContact CD2-CB 4.13Å; L1016-A1020 VanDerWaalsContact O-CB 3.27Å; L1016-A1020 WeakPolarHBondContact O-CB 3.33Å; L1016-A1020 PolarHBondContact O-N 2.99Å; L1017-A1020 PolarHBondContact O-N 2.95Å
1021	L	92.9	Very high	95.1	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-73.1	-39.3	178.8	-67.9	168.2	0	0	0	112.1	F621 V658 Y663 I667 F671 L1017	F621-L1021 HydrophobicContact CE1-CD1 4.35Å; F621-L1021 HydrophobicContact CZ-CD1 4.41Å; V658-L1021 HydrophobicContact CG2-CD1 3.77Å; Y663-L1021 HydrophobicContact CD1-CD2 4.21Å; Y663-L1021 HydrophobicContact CD2-CD2 3.72Å; Y663-L1021 HydrophobicContact CE1-CD2 3.94Å; Y663-L1021 HydrophobicContact CE2-CD2 3.45Å; Y663-L1021 VanDerWaalsContact CE2-CD2 3.45Å; Y663-L1021 HydrophobicContact CG-CD2 4.12Å; Y663-L1021 PolarHBondContact OH-O 3.18Å; I667-L1021 HydrophobicContact CG2-CD2 3.94Å; I667-L1021 HydrophobicContact CG2-CG 4.41Å; F671-L1021 HydrophobicContact CD2-CD1 3.67Å; F671-L1021 HydrophobicContact CE2-CD1 3.95Å; L1017-L1021 WeakPolarHBondContact O-CB 3.4Å; L1017-L1021 VanDerWaalsContact O-CG 3.26Å; L1017-L1021 WeakPolarHBondContact O-CG 3.47Å; L1017-L1021 PolarHBondContact O-N 2.83Å
1022	Y	93.8	Very high	95.2	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.047	17%	0.174	C	C	.	.			trans	-137.9	64.7	-172.3	-69.7	-78.2	0	0	0	113.4	F621 D622 M625 V658 G659 Y660 S1018 K1024 V1025 F1026	F621-Y1022 AromaticContact CD1-CD2 3.84Å; F621-Y1022 HydrophobicContact CD1-CD2 3.84Å; F621-Y1022 AromaticContact CD1-CE2 3.77Å; F621-Y1022 HydrophobicContact CD1-CE2 3.77Å; F621-Y1022 AromaticContact CE1-CD2 3.99Å; F621-Y1022 HydrophobicContact CE1-CD2 3.99Å; F621-Y1022 HydrophobicContact CE1-CE2 4.31Å; D622-Y1022 HydrophobicContact CB-CD1 4.47Å; D622-Y1022 HydrophobicContact CB-CE1 3.83Å; D622-Y1022 HydrophobicContact CB-CE2 4.29Å; D622-Y1022 WeakPolarHBondContact OD1-CD1 3.46Å; D622-Y1022 WeakPolarHBondContact OD1-CE1 3.45Å; M625-Y1022 HydrophobicContact CE-CD2 4.38Å; V658-Y1022 HydrophobicContact CG2-CE2 4.46Å; V658-Y1022 PolarHBondContact O-OH 3.23Å; G659-Y1022 WeakPolarHBondContact CA-OH 3.35Å; Y660-Y1022 AromaticContact CD2-CE1 3.62Å; Y660-Y1022 HydrophobicContact CD2-CE1 3.62Å; Y660-Y1022 AromaticContact CE2-CE1 3.61Å; Y660-Y1022 HydrophobicContact CE2-CE1 3.61Å; Y660-Y1022 AromaticContact CE2-CZ 3.99Å; Y660-Y1022 WeakPolarHBondContact CE2-OH 3.23Å; S1018-Y1022 WeakPolarHBondContact O-CA 3.28Å; S1018-Y1022 PolarHBondContact O-N 2.91Å; Y1022-K1024 PolarHBondContact O-N 3.28Å; Y1022-V1025 HydrophobicContact CD1-CG2 4.02Å; Y1022-V1025 HydrophobicContact CG-CG2 4.41Å; Y1022-V1025 PolarHBondContact O-N 3.19Å; Y1022-F1026 WeakPolarHBondContact O-CB 3.46Å; Y1022-F1026 PolarHBondContact O-N 3.16Å
1023	P	93.8	Very high	95	Very high	76 Å²	76	36.5 Å²	36.5	49%	0.494	17%	0.174	S	C	.	.	H	α-helix	trans	-59.6	-41.7	-169.8	20.6	-33	0	0	0	114.1	A1019 N1027	A1019-P1023 WeakPolarHBondContact O-CA 3.23Å; A1019-P1023 VanDerWaalsContact O-CB 3.31Å; A1019-P1023 WeakPolarHBondContact O-CB 3.13Å; A1019-P1023 WeakPolarHBondContact O-CD 3.39Å; A1019-P1023 VanDerWaalsContact O-N 3.11Å; P1023-N1027 WeakPolarHBondContact O-CB 3.49Å; P1023-N1027 PolarHBondContact O-N 3.45Å; P1023-N1027 PolarHBondContact O-ND2 2.96Å
1024	K	94.2	Very high	94.7	Very high	143 Å²	143	40 Å²	40	62%	0.622	19%	0.188	S	C	*	.	H	α-helix	trans	-68.2	-46	178.2	-178.2	175	173.1	178.3	0	111.6	Y1022 N1027 E1028	Y1022-K1024 PolarHBondContact O-N 3.28Å; K1024-N1027 PolarHBondContact O-N 3.34Å; K1024-E1028 WeakPolarHBondContact CE-OE1 3.26Å; K1024-E1028 IonicContact NZ-OE1 3.33Å; K1024-E1028 WeakPolarHBondContact O-CG 3.33Å; K1024-E1028 PolarHBondContact O-N 3.31Å
1025	V	94.4	Very high	94.4	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-44.6	-177.3	-168.7	0	0	0	0	111	M625 R626 Y1022 N1027 E1028 F1029	M625-V1025 HydrophobicContact CB-CG1 3.86Å; R626-V1025 HydrophobicContact CB-CG1 3.69Å; R626-V1025 HydrophobicContact CG-CG1 4.33Å; Y1022-V1025 HydrophobicContact CD1-CG2 4.02Å; Y1022-V1025 HydrophobicContact CG-CG2 4.41Å; Y1022-V1025 PolarHBondContact O-N 3.19Å; V1025-N1027 VanDerWaalsContact C-N 3.33Å; V1025-N1027 PolarHBondContact O-N 2.92Å; V1025-E1028 PolarHBondContact O-N 3.04Å; V1025-F1029 VanDerWaalsContact O-CB 3.28Å; V1025-F1029 WeakPolarHBondContact O-CB 3.41Å; V1025-F1029 PolarHBondContact O-N 3.43Å
1026	F	96.5	Very high	94.4	Very high	2 Å²	2	41 Å²	41	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-42.5	178.2	-176.6	-94.3	0	0	0	111.3	M625 L1003 F1011 D1015 A1019 Y1022 F1029 E1030	M625-F1026 HydrophobicContact SD-CD2 4.26Å; L1003-F1026 HydrophobicContact CD1-CE1 4.08Å; L1003-F1026 HydrophobicContact CD2-CD1 4.5Å; L1003-F1026 HydrophobicContact CD2-CE1 4.31Å; F1011-F1026 HydrophobicContact CD1-CE1 4.2Å; F1011-F1026 AromaticContact CD1-CZ 3.97Å; F1011-F1026 HydrophobicContact CD1-CZ 3.97Å; F1011-F1026 AromaticContact CE1-CE1 3.84Å; F1011-F1026 HydrophobicContact CE1-CE1 3.84Å; F1011-F1026 AromaticContact CE1-CZ 3.86Å; F1011-F1026 HydrophobicContact CE1-CZ 3.86Å; D1015-F1026 HydrophobicContact CB-CE2 4.18Å; D1015-F1026 HydrophobicContact CB-CZ 3.83Å; A1019-F1026 HydrophobicContact CB-CB 4.24Å; A1019-F1026 HydrophobicContact CB-CD1 3.54Å; A1019-F1026 HydrophobicContact CB-CD2 4.45Å; A1019-F1026 HydrophobicContact CB-CE1 3.96Å; A1019-F1026 HydrophobicContact CB-CG 3.81Å; Y1022-F1026 WeakPolarHBondContact O-CB 3.46Å; Y1022-F1026 PolarHBondContact O-N 3.16Å; F1026-F1029 PolarHBondContact O-N 3.28Å; F1026-E1030 HydrophobicContact CD1-CG 4.14Å; F1026-E1030 HydrophobicContact CE1-CG 3.66Å; F1026-E1030 HydrophobicContact CE2-CG 4.38Å; F1026-E1030 HydrophobicContact CZ-CG 3.8Å; F1026-E1030 WeakPolarHBondContact O-CG 3.46Å; F1026-E1030 PolarHBondContact O-N 3.35Å
1027	N	95.7	Very high	94.1	Very high	41 Å²	41	40.5 Å²	40.5	22%	0.219	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-47.7	174.7	-85.1	-57.6	0	0	0	112.4	K1006 F1007 P1023 K1024 V1025 F1029 E1030 E1031	K1006-N1027 PolarHBondContact NZ-OD1 2.88Å; F1007-N1027 WeakPolarHBondContact CE2-OD1 3.25Å; P1023-N1027 WeakPolarHBondContact O-CB 3.49Å; P1023-N1027 PolarHBondContact O-N 3.45Å; P1023-N1027 PolarHBondContact O-ND2 2.96Å; K1024-N1027 PolarHBondContact O-N 3.34Å; V1025-N1027 VanDerWaalsContact C-N 3.33Å; V1025-N1027 PolarHBondContact O-N 2.92Å; N1027-F1029 VanDerWaalsContact C-N 3.33Å; N1027-E1030 PolarHBondContact O-N 3.23Å; N1027-E1031 WeakPolarHBondContact O-CB 3.37Å; N1027-E1031 WeakPolarHBondContact O-CG 3.41Å; N1027-E1031 PolarHBondContact O-N 2.99Å
1028	E	95.4	Very high	94	Very high	86 Å²	86	41.5 Å²	41.5	40%	0.402	20%	0.201	S	C	.	.	H	α-helix	trans	-62.5	-40.5	177.3	-72	169.4	178.8	0	0	111.4	K1024 V1025 E1031 F1032	K1024-E1028 WeakPolarHBondContact CE-OE1 3.26Å; K1024-E1028 IonicContact NZ-OE1 3.33Å; K1024-E1028 WeakPolarHBondContact O-CG 3.33Å; K1024-E1028 PolarHBondContact O-N 3.31Å; V1025-E1028 PolarHBondContact O-N 3.04Å; E1028-E1031 PolarHBondContact O-N 3.36Å; E1028-F1032 VanDerWaalsContact O-CB 3.3Å; E1028-F1032 WeakPolarHBondContact O-CB 3.11Å; E1028-F1032 PolarHBondContact O-N 2.75Å
1029	F	95.9	Very high	93.9	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-45.9	175.7	168.8	-112.2	0	0	0	112.4	M625 H629 C631 V1025 F1026 N1027 F1032 R1033	M625-F1029 HydrophobicContact CB-CB 4.21Å; M625-F1029 HydrophobicContact CB-CD2 4.46Å; M625-F1029 HydrophobicContact CB-CG 4.22Å; M625-F1029 HydrophobicContact CG-CD1 4.38Å; M625-F1029 HydrophobicContact CG-CG 4.33Å; M625-F1029 HydrophobicContact SD-CD1 4.42Å; H629-F1029 WeakPolarHBondContact O-CE2 3.35Å; C631-F1029 HydrophobicContact CB-CE1 4.38Å; C631-F1029 HydrophobicContact CB-CZ 4Å; V1025-F1029 VanDerWaalsContact O-CB 3.28Å; V1025-F1029 WeakPolarHBondContact O-CB 3.41Å; V1025-F1029 PolarHBondContact O-N 3.43Å; F1026-F1029 PolarHBondContact O-N 3.28Å; N1027-F1029 VanDerWaalsContact C-N 3.33Å; F1029-F1032 WeakPolarHBondContact O-CB 3.22Å; F1029-F1032 PolarHBondContact O-N 3.35Å; F1029-R1033 WeakPolarHBondContact O-CB 3.49Å; F1029-R1033 PolarHBondContact O-N 2.9Å
1030	E	94.5	Very high	93.8	Very high	11 Å²	11	42 Å²	42	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-39.9	177.3	-78.6	-66.5	123.2	0	0	112.4	F1007 R1009 F1011 F1026 N1027 R1033 K1034	F1007-E1030 HydrophobicContact CD1-CB 4.06Å; F1007-E1030 HydrophobicContact CE1-CB 3.51Å; F1007-E1030 HydrophobicContact CE2-CB 4.04Å; F1007-E1030 HydrophobicContact CE2-CG 4.41Å; F1007-E1030 HydrophobicContact CZ-CB 3.5Å; F1007-E1030 VanDerWaalsContact CZ-CB 3.5Å; F1007-E1030 HydrophobicContact CZ-CG 4.33Å; R1009-E1030 IonicContact CZ-OE1 3.62Å; R1009-E1030 IonicContact CZ-OE2 2.64Å; R1009-E1030 IonicContact NE-OE1 3.64Å; R1009-E1030 IonicContact NE-OE2 3.47Å; R1009-E1030 PolarHBondContact NE-OE2 3.07Å; R1009-E1030 IonicContact NH2-OE1 3.66Å; R1009-E1030 PolarHBondContact NH2-OE1 3.32Å; R1009-E1030 IonicContact NH2-OE2 3.7Å; R1009-E1030 PolarHBondContact NH2-OE2 3.42Å; R1009-E1030 VanDerWaalsContact NH2-OE2 3.12Å; F1011-E1030 HydrophobicContact CE1-CG 4.39Å; F1026-E1030 HydrophobicContact CD1-CG 4.14Å; F1026-E1030 HydrophobicContact CE1-CG 3.66Å; F1026-E1030 HydrophobicContact CE2-CG 4.38Å; F1026-E1030 HydrophobicContact CZ-CG 3.8Å; F1026-E1030 WeakPolarHBondContact O-CG 3.46Å; F1026-E1030 PolarHBondContact O-N 3.35Å; N1027-E1030 PolarHBondContact O-N 3.23Å; E1030-R1033 PolarHBondContact O-N 3.47Å; E1030-K1034 WeakPolarHBondContact O-CB 3.41Å; E1030-K1034 PolarHBondContact O-N 2.81Å
1031	E	93.5	Very high	93.8	Very high	89 Å²	89	44.8 Å²	44.8	42%	0.416	21%	0.211	S	C	.	.	H	α-helix	trans	-63.6	-42.8	174	-72.6	174.3	-164.4	0	0	111.2	K1006 F1007 N1027 E1028 K1034 I1035	K1006-E1031 WeakPolarHBondContact CE-OE1 3.04Å; K1006-E1031 IonicContact NZ-OE1 3.22Å; K1006-E1031 PolarHBondContact NZ-OE1 3.24Å; F1007-E1031 HydrophobicContact CE1-CG 3.89Å; F1007-E1031 HydrophobicContact CZ-CG 4.29Å; N1027-E1031 WeakPolarHBondContact O-CB 3.37Å; N1027-E1031 WeakPolarHBondContact O-CG 3.41Å; N1027-E1031 PolarHBondContact O-N 2.99Å; E1028-E1031 PolarHBondContact O-N 3.36Å; E1031-K1034 WeakPolarHBondContact O-CB 3.46Å; E1031-K1034 PolarHBondContact O-N 3.36Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.49Å; E1031-I1035 PolarHBondContact O-N 3.07Å
1032	F	94.6	Very high	93.9	Very high	25 Å²	25	44.5 Å²	44.5	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-51	174.6	-175.4	-77.6	0	0	0	111.6	Y511 H629 E1028 F1029 K1034 I1035 Y1036 V1039	Y511-F1032 HydrophobicContact CD2-CE2 4.5Å; Y511-F1032 AromaticContact CD2-CZ 3.78Å; Y511-F1032 HydrophobicContact CD2-CZ 3.78Å; Y511-F1032 HydrophobicContact CE2-CE2 4.18Å; Y511-F1032 AromaticContact CE2-CZ 3.51Å; Y511-F1032 HydrophobicContact CE2-CZ 3.51Å; H629-F1032 HydrophobicContact CB-CD1 3.54Å; H629-F1032 HydrophobicContact CB-CE1 3.42Å; H629-F1032 VanDerWaalsContact CB-CE1 3.42Å; H629-F1032 HydrophobicContact CB-CE2 4.44Å; H629-F1032 HydrophobicContact CB-CG 4.13Å; H629-F1032 HydrophobicContact CB-CZ 3.89Å; H629-F1032 AromaticContact CD2-CD2 3.8Å; H629-F1032 AromaticContact CD2-CE1 3.81Å; H629-F1032 AromaticContact CD2-CE2 3.3Å; H629-F1032 WeakPolarHBondContact CD2-CE2 3.44Å; H629-F1032 AromaticContact CD2-CZ 3.3Å; H629-F1032 WeakPolarHBondContact CD2-CZ 3.4Å; H629-F1032 AromaticContact CE1-CD2 3.78Å; H629-F1032 AromaticContact CE1-CE2 3.97Å; H629-F1032 AromaticContact CG-CD1 3.71Å; H629-F1032 AromaticContact CG-CD2 3.82Å; H629-F1032 AromaticContact CG-CE1 3.63Å; H629-F1032 AromaticContact CG-CE2 3.72Å; H629-F1032 AromaticContact CG-CG 3.81Å; H629-F1032 AromaticContact CG-CZ 3.62Å; H629-F1032 AromaticContact ND1-CD2 3.82Å; H629-F1032 AromaticContact ND1-CG 3.84Å; H629-F1032 AromaticContact NE2-CD2 3.77Å; H629-F1032 AromaticContact NE2-CE2 3.47Å; H629-F1032 WeakPolarHBondContact NE2-CE2 3.39Å; H629-F1032 AromaticContact NE2-CZ 3.99Å; E1028-F1032 VanDerWaalsContact O-CB 3.3Å; E1028-F1032 WeakPolarHBondContact O-CB 3.11Å; E1028-F1032 PolarHBondContact O-N 2.75Å; F1029-F1032 WeakPolarHBondContact O-CB 3.22Å; F1029-F1032 PolarHBondContact O-N 3.35Å; F1032-K1034 VanDerWaalsContact C-N 3.25Å; F1032-K1034 PolarHBondContact O-N 2.68Å; F1032-I1035 PolarHBondContact O-N 3.37Å; F1032-Y1036 HydrophobicContact CD1-CD2 4.04Å; F1032-Y1036 AromaticContact CD2-CD2 3.67Å; F1032-Y1036 HydrophobicContact CD2-CD2 3.67Å; F1032-Y1036 HydrophobicContact CD2-CE2 4.02Å; F1032-Y1036 AromaticContact CE1-CD2 3.83Å; F1032-Y1036 HydrophobicContact CE1-CD2 3.83Å; F1032-Y1036 HydrophobicContact CE1-CG 4.26Å; F1032-Y1036 AromaticContact CE2-CD2 3.46Å; F1032-Y1036 HydrophobicContact CE2-CD2 3.46Å; F1032-Y1036 VanDerWaalsContact CE2-CD2 3.46Å; F1032-Y1036 AromaticContact CE2-CE2 3.82Å; F1032-Y1036 HydrophobicContact CE2-CE2 3.82Å; F1032-Y1036 HydrophobicContact CE2-CG 4.48Å; F1032-Y1036 AromaticContact CG-CD2 3.96Å; F1032-Y1036 HydrophobicContact CG-CD2 3.96Å; F1032-Y1036 AromaticContact CZ-CD2 3.55Å; F1032-Y1036 HydrophobicContact CZ-CD2 3.55Å; F1032-Y1036 HydrophobicContact CZ-CE2 4.3Å; F1032-Y1036 HydrophobicContact CZ-CG 4.17Å; F1032-Y1036 PolarHBondContact O-N 3.03Å; F1032-V1039 HydrophobicContact CE1-CB 4.47Å; F1032-V1039 HydrophobicContact CE1-CG1 3.88Å; F1032-V1039 HydrophobicContact CE1-CG2 3.77Å; F1032-V1039 HydrophobicContact CZ-CG1 4.32Å; F1032-V1039 HydrophobicContact CZ-CG2 4.41Å
1033	R	91.9	Very high	94	Very high	77 Å²	77	45.3 Å²	45.3	29%	0.291	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-35.1	179.7	-169.7	179.8	-174.8	171.3	10	111.6	E634 F1029 E1030 I1035 G1037	E634-R1033 IonicContact OE1-CZ 2.66Å; E634-R1033 IonicContact OE1-NH1 3.65Å; E634-R1033 PolarHBondContact OE1-NH1 3.26Å; E634-R1033 IonicContact OE1-NH2 3.22Å; E634-R1033 PolarHBondContact OE1-NH2 2.83Å; E634-R1033 IonicContact OE2-NH2 2.79Å; F1029-R1033 WeakPolarHBondContact O-CB 3.49Å; F1029-R1033 PolarHBondContact O-N 2.9Å; E1030-R1033 PolarHBondContact O-N 3.47Å; R1033-I1035 VanDerWaalsContact C-N 3.34Å; R1033-I1035 PolarHBondContact O-N 3.04Å; R1033-G1037 VanDerWaalsContact O-CA 3.28Å; R1033-G1037 WeakPolarHBondContact O-CA 3.43Å; R1033-G1037 PolarHBondContact O-N 2.93Å
1034	K	88.8	Confident	94.1	Very high	142 Å²	142	41.8 Å²	41.8	62%	0.617	19%	0.193	S	C	*	.	H	α-helix	trans	-61.7	-40.3	174.3	-177.2	177.9	179.5	176.3	0	112.1	K507 E1030 E1031 F1032	K507-K1034 VanDerWaalsContact CE-O 3.3Å; K507-K1034 WeakPolarHBondContact CE-O 3.34Å; K507-K1034 PolarHBondContact NZ-O 2.97Å; E1030-K1034 WeakPolarHBondContact O-CB 3.41Å; E1030-K1034 PolarHBondContact O-N 2.81Å; E1031-K1034 WeakPolarHBondContact O-CB 3.46Å; E1031-K1034 PolarHBondContact O-N 3.36Å; F1032-K1034 VanDerWaalsContact C-N 3.25Å; F1032-K1034 PolarHBondContact O-N 2.68Å
1035	I	90.3	Very high	94.1	Very high	70 Å²	70	35.8 Å²	35.8	36%	0.359	17%	0.167	S	C	.	.	H	α-helix	trans	-81.2	-47.7	-177.1	-64.3	170.6	0	0	0	111.8	K507 E1031 F1032 R1033	K507-I1035 WeakPolarHBondContact CG-O 3.25Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.49Å; E1031-I1035 PolarHBondContact O-N 3.07Å; F1032-I1035 PolarHBondContact O-N 3.37Å; R1033-I1035 VanDerWaalsContact C-N 3.34Å; R1033-I1035 PolarHBondContact O-N 3.04Å
1036	Y	94	Very high	94.2	Very high	33 Å²	33	36 Å²	36	13%	0.129	17%	0.168	C	C	.	.	H	α-helix	trans	-109.3	-13.5	-166.6	-64.2	-56.4	0	0	0	114.8	K507 R510 Y511 N514 F1032	K507-Y1036 CarbonylContact C-O 3.57Å; K507-Y1036 VanDerWaalsContact C-O 3.25Å; K507-Y1036 VanDerWaalsContact CB-C 3.44Å; K507-Y1036 VanDerWaalsContact CB-O 3.28Å; K507-Y1036 WeakPolarHBondContact CB-O 3.32Å; R510-Y1036 HydrophobicContact CG-CE1 4.26Å; Y511-Y1036 VanDerWaalsContact CA-CD1 3.43Å; Y511-Y1036 AromaticContact CD2-CD1 3.96Å; Y511-Y1036 HydrophobicContact CD2-CD1 3.96Å; Y511-Y1036 HydrophobicContact CD2-CD2 4.14Å; Y511-Y1036 HydrophobicContact CD2-CE1 4.4Å; Y511-Y1036 AromaticContact CD2-CG 3.81Å; Y511-Y1036 HydrophobicContact CD2-CG 3.81Å; Y511-Y1036 HydrophobicContact CG-CD1 4.27Å; Y511-Y1036 HydrophobicContact CG-CG 4.35Å; N514-Y1036 HydrophobicContact CB-CE1 4.11Å; F1032-Y1036 HydrophobicContact CD1-CD2 4.04Å; F1032-Y1036 AromaticContact CD2-CD2 3.67Å; F1032-Y1036 HydrophobicContact CD2-CD2 3.67Å; F1032-Y1036 HydrophobicContact CD2-CE2 4.02Å; F1032-Y1036 AromaticContact CE1-CD2 3.83Å; F1032-Y1036 HydrophobicContact CE1-CD2 3.83Å; F1032-Y1036 HydrophobicContact CE1-CG 4.26Å; F1032-Y1036 AromaticContact CE2-CD2 3.46Å; F1032-Y1036 HydrophobicContact CE2-CD2 3.46Å; F1032-Y1036 VanDerWaalsContact CE2-CD2 3.46Å; F1032-Y1036 AromaticContact CE2-CE2 3.82Å; F1032-Y1036 HydrophobicContact CE2-CE2 3.82Å; F1032-Y1036 HydrophobicContact CE2-CG 4.48Å; F1032-Y1036 AromaticContact CG-CD2 3.96Å; F1032-Y1036 HydrophobicContact CG-CD2 3.96Å; F1032-Y1036 AromaticContact CZ-CD2 3.55Å; F1032-Y1036 HydrophobicContact CZ-CD2 3.55Å; F1032-Y1036 HydrophobicContact CZ-CE2 4.3Å; F1032-Y1036 HydrophobicContact CZ-CG 4.17Å; F1032-Y1036 PolarHBondContact O-N 3.03Å
1037	G	92	Very high	94.1	Very high	8 Å²	8	36 Å²	36	8%	0.082	17%	0.167	C	C	.	.			trans	72.4	-148.9	175.7	0	0	0	0	0	113.1	R1033 V1039	R1033-G1037 VanDerWaalsContact O-CA 3.28Å; R1033-G1037 WeakPolarHBondContact O-CA 3.43Å; R1033-G1037 PolarHBondContact O-N 2.93Å; G1037-V1039 PolarHBondContact O-N 2.8Å
1038	P	93	Very high	94.1	Very high	22 Å²	22	34 Å²	34	14%	0.143	16%	0.157	C	C	.	.			trans	-84.8	72.4	-168.9	35.6	-36.2	0	0	0	112.6	R504 L508 D1040 R1041 L1061	R504-P1038 HydrophobicContact CB-CG 4.43Å; L508-P1038 WeakPolarHBondContact CD2-O 3.19Å; P1038-D1040 WeakPolarHBondContact CA-OD1 3.29Å; P1038-D1040 WeakPolarHBondContact CB-OD1 3.34Å; P1038-D1040 PolarHBondContact O-N 3.25Å; P1038-R1041 HydrophobicContact CB-CG 4.15Å; P1038-R1041 WeakPolarHBondContact O-CB 3.4Å; P1038-R1041 PolarHBondContact O-N 3.28Å; P1038-R1041 VanDerWaalsContact O-N 3.17Å; P1038-L1061 HydrophobicContact CG-CD1 3.92Å
1039	V	95.7	Very high	94	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-67	-13.7	-178.9	-61.5	0	0	0	0	113.5	L508 Y511 R592 H629 F1032 G1037 R1041 L1042 F1047	L508-V1039 HydrophobicContact CD2-CG1 4.29Å; Y511-V1039 HydrophobicContact CD1-CG1 3.9Å; Y511-V1039 HydrophobicContact CD2-CG1 4Å; Y511-V1039 HydrophobicContact CE1-CG1 4.22Å; Y511-V1039 HydrophobicContact CE2-CG1 4.36Å; Y511-V1039 HydrophobicContact CG-CG1 3.75Å; R592-V1039 PolarHBondContact NH2-O 3.06Å; H629-V1039 HydrophobicContact CB-CG2 3.94Å; F1032-V1039 HydrophobicContact CE1-CB 4.47Å; F1032-V1039 HydrophobicContact CE1-CG1 3.88Å; F1032-V1039 HydrophobicContact CE1-CG2 3.77Å; F1032-V1039 HydrophobicContact CZ-CG1 4.32Å; F1032-V1039 HydrophobicContact CZ-CG2 4.41Å; G1037-V1039 PolarHBondContact O-N 2.8Å; V1039-R1041 PolarHBondContact O-N 3.01Å; V1039-L1042 HydrophobicContact CB-CD1 4.36Å; V1039-L1042 HydrophobicContact CG1-CD1 4.49Å; V1039-L1042 PolarHBondContact O-N 3.17Å; V1039-F1047 HydrophobicContact CB-CD2 4.16Å; V1039-F1047 HydrophobicContact CB-CE2 4.17Å; V1039-F1047 HydrophobicContact CG2-CD2 4.28Å; V1039-F1047 HydrophobicContact CG2-CE2 3.82Å
1040	D	94.5	Very high	93.9	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57.1	-25.5	169.6	58.3	-65.5	0	0	0	112.7	R592 E630 P1038	R592-D1040 PolarHBondContact NH2-O 3.34Å; E630-D1040 HydrophobicContact CB-CB 4.14Å; P1038-D1040 WeakPolarHBondContact CA-OD1 3.29Å; P1038-D1040 WeakPolarHBondContact CB-OD1 3.34Å; P1038-D1040 PolarHBondContact O-N 3.25Å
1041	R	94.2	Very high	93.9	Very high	72 Å²	72	32.3 Å²	32.3	27%	0.272	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-80.6	-14.9	179.8	-56.8	-58.4	172.8	145.7	-5.5	114.7	P1038 V1039 V1059 D1060	P1038-R1041 HydrophobicContact CB-CG 4.15Å; P1038-R1041 WeakPolarHBondContact O-CB 3.4Å; P1038-R1041 PolarHBondContact O-N 3.28Å; P1038-R1041 VanDerWaalsContact O-N 3.17Å; V1039-R1041 PolarHBondContact O-N 3.01Å; R1041-V1059 HydrophobicContact CB-CG1 3.99Å; R1041-D1060 WeakPolarHBondContact CD-O 3.43Å
1042	L	95.6	Very high	93.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-73.5	142.2	178.7	-64.7	174.4	0	0	0	110.5	L508 Y511 I512 R592 V1039 M1046 F1047 F1057 V1059	L508-L1042 HydrophobicContact CD2-CD1 4.28Å; L508-L1042 HydrophobicContact CD2-CD2 4.34Å; L508-L1042 HydrophobicContact CD2-CG 4.16Å; Y511-L1042 HydrophobicContact CD1-CD1 3.41Å; Y511-L1042 VanDerWaalsContact CD1-CD1 3.41Å; Y511-L1042 HydrophobicContact CE1-CD1 3.67Å; I512-L1042 HydrophobicContact CD1-CD2 4.23Å; R592-L1042 VanDerWaalsContact CZ-O 3.3Å; R592-L1042 PolarHBondContact NH1-O 2.92Å; R592-L1042 PolarHBondContact NH2-O 3.44Å; V1039-L1042 HydrophobicContact CB-CD1 4.36Å; V1039-L1042 HydrophobicContact CG1-CD1 4.49Å; V1039-L1042 PolarHBondContact O-N 3.17Å; L1042-M1046 HydrophobicContact CB-CB 4.49Å; L1042-F1047 HydrophobicContact CB-CB 4.44Å; L1042-F1057 HydrophobicContact CD2-CE2 4.43Å; L1042-V1059 HydrophobicContact CD2-CG1 4.3Å; L1042-V1059 HydrophobicContact CD2-CG2 3.83Å
1043	P	95.2	Very high	93.8	Very high	28 Å²	28	37.8 Å²	37.8	18%	0.182	18%	0.18	C	C	.	.			trans	-55.1	144.2	166.3	-23.1	32.6	0	0	0	111	F594 R1045 M1046 F1047	F594-P1043 HydrophobicContact CE1-CB 4.31Å; F594-P1043 HydrophobicContact CZ-CB 4.22Å; F594-P1043 HydrophobicContact CZ-CG 4.22Å; P1043-R1045 VanDerWaalsContact C-N 3.28Å; P1043-R1045 PolarHBondContact O-N 2.88Å; P1043-M1046 HydrophobicContact CB-CG 4.03Å; P1043-M1046 HydrophobicContact CG-CG 4.12Å; P1043-M1046 WeakPolarHBondContact O-CA 3.42Å; P1043-M1046 WeakPolarHBondContact O-CB 3.14Å; P1043-M1046 PolarHBondContact O-N 3.26Å; P1043-F1047 PolarHBondContact O-N 3.14Å
1044	T	96.1	Very high	93.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-56.1	-38.6	-171.8	-66.7	0	0	0	0	113.7	R592 D595 L853 Y854 F1047 F1048	R592-T1044 PolarHBondContact NH1-OG1 3.47Å; D595-T1044 WeakPolarHBondContact OD2-CB 3.39Å; D595-T1044 PolarHBondContact OD2-OG1 3.34Å; L853-T1044 HydrophobicContact CB-CG2 4.03Å; Y854-T1044 HydrophobicContact CD1-CG2 4.42Å; Y854-T1044 HydrophobicContact CE1-CG2 3.71Å; Y854-T1044 HydrophobicContact CE2-CG2 4.02Å; Y854-T1044 VanDerWaalsContact CZ-CG2 3.48Å; Y854-T1044 WeakPolarHBondContact OH-CG2 3.39Å; Y854-T1044 PolarHBondContact OH-OG1 2.63Å; T1044-F1047 PolarHBondContact O-N 2.97Å; T1044-F1048 HydrophobicContact CG2-CD2 3.76Å; T1044-F1048 HydrophobicContact CG2-CE2 3.48Å; T1044-F1048 VanDerWaalsContact CG2-CE2 3.48Å; T1044-F1048 WeakPolarHBondContact O-CD2 3.38Å; T1044-F1048 PolarHBondContact O-N 2.85Å; T1044-F1048 VanDerWaalsContact O-N 3.1Å
1045	R	95	Very high	94.1	Very high	18 Å²	18	32.2 Å²	32.2	7%	0.068	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-46.2	174	-155	-172.5	66.1	51.8	4.6	112.3	P530 S531 D532 P1043 F1047 F1048 V1049 G1050 E1055	P530-R1045 HydrophobicContact CB-CG 3.92Å; S531-R1045 WeakPolarHBondContact O-CD 3.4Å; D532-R1045 WeakPolarHBondContact OD1-CD 3.37Å; D532-R1045 IonicContact OD1-CZ 3.01Å; D532-R1045 IonicContact OD1-NE 3.2Å; D532-R1045 PolarHBondContact OD1-NE 3.21Å; D532-R1045 IonicContact OD1-NH2 2.99Å; P1043-R1045 VanDerWaalsContact C-N 3.28Å; P1043-R1045 PolarHBondContact O-N 2.88Å; R1045-F1047 VanDerWaalsContact C-N 3.29Å; R1045-F1047 PolarHBondContact O-N 3.4Å; R1045-F1048 PolarHBondContact O-N 3.16Å; R1045-V1049 HydrophobicContact CG-CG2 4.1Å; R1045-V1049 VanDerWaalsContact O-CG2 3.28Å; R1045-V1049 WeakPolarHBondContact O-CG2 3.5Å; R1045-V1049 PolarHBondContact O-N 3.38Å; R1045-G1050 PolarHBondContact NH1-O 3.2Å; R1045-E1055 IonicContact CZ-OE1 3.95Å; R1045-E1055 IonicContact CZ-OE2 3.81Å; R1045-E1055 IonicContact NH2-OE1 2.78Å; R1045-E1055 PolarHBondContact NH2-OE1 3.48Å; R1045-E1055 IonicContact NH2-OE2 3.66Å; R1045-E1055 PolarHBondContact NH2-OE2 3.07Å
1046	M	94.8	Very high	94.3	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.044	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-34.5	179.5	-55.9	-58.4	170.2	0	0	111.8	L1042 P1043 G1050 P1051 F1057	L1042-M1046 HydrophobicContact CB-CB 4.49Å; P1043-M1046 HydrophobicContact CB-CG 4.03Å; P1043-M1046 HydrophobicContact CG-CG 4.12Å; P1043-M1046 WeakPolarHBondContact O-CA 3.42Å; P1043-M1046 WeakPolarHBondContact O-CB 3.14Å; P1043-M1046 PolarHBondContact O-N 3.26Å; M1046-G1050 VanDerWaalsContact O-CA 3.29Å; M1046-G1050 WeakPolarHBondContact O-CA 3.22Å; M1046-G1050 PolarHBondContact O-N 3.33Å; M1046-G1050 VanDerWaalsContact O-N 3.13Å; M1046-P1051 HydrophobicContact SD-CB 3.79Å; M1046-F1057 HydrophobicContact CB-CE2 4.4Å; M1046-F1057 HydrophobicContact CE-CB 3.66Å; M1046-F1057 HydrophobicContact CE-CD1 3.64Å; M1046-F1057 HydrophobicContact CE-CD2 4.29Å; M1046-F1057 HydrophobicContact CE-CE1 4.36Å; M1046-F1057 HydrophobicContact CE-CG 3.6Å; M1046-F1057 HydrophobicContact CG-CD1 4.43Å; M1046-F1057 HydrophobicContact CG-CD2 3.86Å; M1046-F1057 HydrophobicContact CG-CE2 3.97Å; M1046-F1057 HydrophobicContact CG-CG 4.1Å; M1046-F1057 HydrophobicContact CG-CZ 4.31Å; M1046-F1057 HydrophobicContact SD-CD1 3.83Å; M1046-F1057 HydrophobicContact SD-CD2 4.33Å; M1046-F1057 HydrophobicContact SD-CE1 3.94Å; M1046-F1057 HydrophobicContact SD-CE2 4.4Å; M1046-F1057 HydrophobicContact SD-CG 4.04Å; M1046-F1057 HydrophobicContact SD-CZ 4.21Å
1047	F	96	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-49.9	174.5	176	-94.8	0	0	0	111.6	Y511 L628 V1039 L1042 P1043 T1044 R1045	Y511-F1047 HydrophobicContact CE1-CD2 4.02Å; Y511-F1047 AromaticContact CZ-CD2 3.96Å; Y511-F1047 WeakPolarHBondContact OH-CD2 3.37Å; Y511-F1047 VanDerWaalsContact OH-CE2 3.29Å; Y511-F1047 WeakPolarHBondContact OH-CE2 3.28Å; Y511-F1047 PolarHBondContact OH-O 3.39Å; L628-F1047 HydrophobicContact CD2-CE1 4.32Å; L628-F1047 WeakPolarHBondContact O-CE2 3.48Å; L628-F1047 VanDerWaalsContact O-CZ 3.28Å; L628-F1047 WeakPolarHBondContact O-CZ 3.27Å; V1039-F1047 HydrophobicContact CB-CD2 4.16Å; V1039-F1047 HydrophobicContact CB-CE2 4.17Å; V1039-F1047 HydrophobicContact CG2-CD2 4.28Å; V1039-F1047 HydrophobicContact CG2-CE2 3.82Å; L1042-F1047 HydrophobicContact CB-CB 4.44Å; P1043-F1047 PolarHBondContact O-N 3.14Å; T1044-F1047 PolarHBondContact O-N 2.97Å; R1045-F1047 VanDerWaalsContact C-N 3.29Å; R1045-F1047 PolarHBondContact O-N 3.4Å
1048	F	95	Very high	94.4	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-76.3	-45.6	-175	-71.7	-52.5	0	0	0	114.2	P520 T522 L524 P530 L628 Y854 F857 T1044 R1045	P520-F1048 WeakPolarHBondContact CA-O 3.31Å; P520-F1048 VanDerWaalsContact CB-O 3.22Å; P520-F1048 WeakPolarHBondContact CB-O 3.38Å; P520-F1048 WeakPolarHBondContact CG-O 3.41Å; T522-F1048 HydrophobicContact CG2-CE1 4.34Å; L524-F1048 HydrophobicContact CD2-CB 4.38Å; L524-F1048 HydrophobicContact CD2-CD1 4.31Å; P530-F1048 HydrophobicContact CG-CB 4.13Å; L628-F1048 HydrophobicContact CD2-CE1 4.38Å; L628-F1048 HydrophobicContact CD2-CZ 4.27Å; Y854-F1048 AromaticContact CD1-CE2 3.79Å; Y854-F1048 HydrophobicContact CD1-CE2 3.79Å; Y854-F1048 HydrophobicContact CD1-CZ 4.18Å; Y854-F1048 AromaticContact CE1-CE2 3.66Å; Y854-F1048 HydrophobicContact CE1-CE2 3.66Å; Y854-F1048 AromaticContact CE1-CZ 4Å; Y854-F1048 HydrophobicContact CE1-CZ 4Å; F857-F1048 HydrophobicContact CD2-CZ 4.34Å; F857-F1048 AromaticContact CE2-CD1 4Å; F857-F1048 HydrophobicContact CE2-CD1 4Å; F857-F1048 HydrophobicContact CE2-CD2 4.24Å; F857-F1048 AromaticContact CE2-CE1 3.51Å; F857-F1048 HydrophobicContact CE2-CE1 3.51Å; F857-F1048 AromaticContact CE2-CE2 3.76Å; F857-F1048 HydrophobicContact CE2-CE2 3.76Å; F857-F1048 HydrophobicContact CE2-CG 4.37Å; F857-F1048 AromaticContact CE2-CZ 3.39Å; F857-F1048 HydrophobicContact CE2-CZ 3.39Å; F857-F1048 HydrophobicContact CZ-CD1 4Å; F857-F1048 AromaticContact CZ-CE1 3.59Å; F857-F1048 HydrophobicContact CZ-CE1 3.59Å; F857-F1048 AromaticContact CZ-CZ 3.97Å; F857-F1048 HydrophobicContact CZ-CZ 3.97Å; T1044-F1048 HydrophobicContact CG2-CD2 3.76Å; T1044-F1048 HydrophobicContact CG2-CE2 3.48Å; T1044-F1048 VanDerWaalsContact CG2-CE2 3.48Å; T1044-F1048 WeakPolarHBondContact O-CD2 3.38Å; T1044-F1048 PolarHBondContact O-N 2.85Å; T1044-F1048 VanDerWaalsContact O-N 3.1Å; R1045-F1048 PolarHBondContact O-N 3.16Å
1049	V	93.8	Very high	94.4	Very high	54 Å²	54	34.6 Å²	34.6	33%	0.327	18%	0.183	S	C	.	.	H	α-helix	trans	-125.8	-2.4	-168.9	-63.1	0	0	0	0	114.2	I515 L524 P530 R1045	I515-V1049 VanDerWaalsContact CG2-C 3.43Å; L524-V1049 HydrophobicContact CD1-CG1 4.14Å; P530-V1049 HydrophobicContact CG-CG1 3.91Å; P530-V1049 HydrophobicContact CG-CG2 4.16Å; R1045-V1049 HydrophobicContact CG-CG2 4.1Å; R1045-V1049 VanDerWaalsContact O-CG2 3.28Å; R1045-V1049 WeakPolarHBondContact O-CG2 3.5Å; R1045-V1049 PolarHBondContact O-N 3.38Å
1050	G	93	Very high	94.2	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	20%	0.202	C	C	.	.			trans	69	178	-177.3	0	0	0	0	0	113.5	R1045 M1046	R1045-G1050 PolarHBondContact NH1-O 3.2Å; M1046-G1050 VanDerWaalsContact O-CA 3.29Å; M1046-G1050 WeakPolarHBondContact O-CA 3.22Å; M1046-G1050 PolarHBondContact O-N 3.33Å; M1046-G1050 VanDerWaalsContact O-N 3.13Å
1051	P	94.3	Very high	93.8	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.065	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-83.2	157.6	177.9	35.9	-38.3	0	0	0	112.1	I512 M516 M1046 E1055 F1057 T1071	I512-P1051 HydrophobicContact CG2-CG 3.66Å; M516-P1051 HydrophobicContact SD-CG 4.26Å; M1046-P1051 HydrophobicContact SD-CB 3.79Å; P1051-E1055 WeakPolarHBondContact CA-OE2 3.19Å; P1051-E1055 HydrophobicContact CB-CB 4.27Å; P1051-F1057 HydrophobicContact CB-CD1 4.15Å; P1051-F1057 HydrophobicContact CB-CE1 3.63Å; P1051-F1057 HydrophobicContact CG-CE1 3.86Å; P1051-F1057 HydrophobicContact CG-CZ 4.4Å; P1051-T1071 HydrophobicContact CB-CG2 4.31Å; P1051-T1071 WeakPolarHBondContact CB-OG1 3.46Å; P1051-T1071 HydrophobicContact CG-CG2 3.41Å; P1051-T1071 VanDerWaalsContact CG-CG2 3.41Å; P1051-T1071 WeakPolarHBondContact CG-OG1 3.44Å
1052	K	93.3	Very high	93.2	Very high	118 Å²	118	37.6 Å²	37.6	51%	0.513	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-76.1	163	166.8	-63.4	167.9	-175.8	166.4	0	110.1	D532 A1054 E1055 T1071	D532-K1052 IonicContact OD2-NZ 2.73Å; D532-K1052 PolarHBondContact OD2-NZ 2.98Å; K1052-A1054 PolarHBondContact O-N 2.69Å; K1052-E1055 HydrophobicContact CB-CB 4.24Å; K1052-E1055 PolarHBondContact N-OE2 3.46Å; K1052-E1055 WeakPolarHBondContact O-CB 3.29Å; K1052-E1055 PolarHBondContact O-N 3.29Å; K1052-T1071 PolarHBondContact O-OG1 3.39Å
1053	I	93.8	Very high	92.5	Very high	111 Å²	111	44.6 Å²	44.6	57%	0.569	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	138.4	170	-64	175.9	0	0	0	108.9	E1055 L1072	I1053-E1055 PolarHBondContact O-N 3.46Å; I1053-L1072 WeakPolarHBondContact CG2-O 3.48Å
1054	A	93.4	Very high	91.9	Very high	64 Å²	64	47.1 Å²	47.1	53%	0.529	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	3.6	-174.8	0	0	0	0	0	116.5	K1052 T1071	K1052-A1054 PolarHBondContact O-N 2.69Å; A1054-T1071 WeakPolarHBondContact CA-O 3.33Å; A1054-T1071 PolarHBondContact N-O 3.17Å
1055	E	93.7	Very high	91.4	Very high	39 Å²	39	52.4 Å²	52.4	18%	0.182	30%	0.299	C	S	.	.			trans	-79.4	135.6	177.4	-174.5	170.5	-163	0	0	112.1	R1045 P1051 K1052 I1053 K1070 T1071	R1045-E1055 IonicContact CZ-OE1 3.95Å; R1045-E1055 IonicContact CZ-OE2 3.81Å; R1045-E1055 IonicContact NH2-OE1 2.78Å; R1045-E1055 PolarHBondContact NH2-OE1 3.48Å; R1045-E1055 IonicContact NH2-OE2 3.66Å; R1045-E1055 PolarHBondContact NH2-OE2 3.07Å; P1051-E1055 WeakPolarHBondContact CA-OE2 3.19Å; P1051-E1055 HydrophobicContact CB-CB 4.27Å; K1052-E1055 HydrophobicContact CB-CB 4.24Å; K1052-E1055 PolarHBondContact N-OE2 3.46Å; K1052-E1055 WeakPolarHBondContact O-CB 3.29Å; K1052-E1055 PolarHBondContact O-N 3.29Å; I1053-E1055 PolarHBondContact O-N 3.46Å; E1055-K1070 VanDerWaalsContact O-CA 3.27Å; E1055-K1070 WeakPolarHBondContact O-CA 3.36Å; E1055-T1071 PolarHBondContact O-N 2.8Å; E1055-T1071 VanDerWaalsContact O-N 3.12Å; E1055-T1071 PolarHBondContact O-OG1 2.97Å
1056	E	93.8	Very high	91.2	Very high	113 Å²	113	56 Å²	56	53%	0.528	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.8	177	-176.7	178.3	171	0	0	110.8	H1068 I1069 K1070	E1056-H1068 IonicContact OE1-ND1 3.89Å; E1056-I1069 CarbonylContact C-O 3.57Å; E1056-I1069 VanDerWaalsContact CA-O 3.3Å; E1056-I1069 WeakPolarHBondContact CA-O 3.39Å; E1056-K1070 HydrophobicContact CB-CB 4.04Å; E1056-K1070 HydrophobicContact CB-CD 4.48Å; E1056-K1070 HydrophobicContact CB-CG 4.22Å; E1056-K1070 HydrophobicContact CG-CB 4.21Å
1057	F	93.7	Very high	91.1	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	147	177.2	58.7	-81.6	0	0	0	112.5	I512 L1042 M1046 P1051 V1059 I1069	I512-F1057 HydrophobicContact CD1-CE2 4.2Å; I512-F1057 HydrophobicContact CD1-CZ 3.74Å; I512-F1057 HydrophobicContact CG1-CZ 4.48Å; L1042-F1057 HydrophobicContact CD2-CE2 4.43Å; M1046-F1057 HydrophobicContact CB-CE2 4.4Å; M1046-F1057 HydrophobicContact CE-CB 3.66Å; M1046-F1057 HydrophobicContact CE-CD1 3.64Å; M1046-F1057 HydrophobicContact CE-CD2 4.29Å; M1046-F1057 HydrophobicContact CE-CE1 4.36Å; M1046-F1057 HydrophobicContact CE-CG 3.6Å; M1046-F1057 HydrophobicContact CG-CD1 4.43Å; M1046-F1057 HydrophobicContact CG-CD2 3.86Å; M1046-F1057 HydrophobicContact CG-CE2 3.97Å; M1046-F1057 HydrophobicContact CG-CG 4.1Å; M1046-F1057 HydrophobicContact CG-CZ 4.31Å; M1046-F1057 HydrophobicContact SD-CD1 3.83Å; M1046-F1057 HydrophobicContact SD-CD2 4.33Å; M1046-F1057 HydrophobicContact SD-CE1 3.94Å; M1046-F1057 HydrophobicContact SD-CE2 4.4Å; M1046-F1057 HydrophobicContact SD-CG 4.04Å; M1046-F1057 HydrophobicContact SD-CZ 4.21Å; P1051-F1057 HydrophobicContact CB-CD1 4.15Å; P1051-F1057 HydrophobicContact CB-CE1 3.63Å; P1051-F1057 HydrophobicContact CG-CE1 3.86Å; P1051-F1057 HydrophobicContact CG-CZ 4.4Å; F1057-V1059 HydrophobicContact CD2-CG2 3.8Å; F1057-V1059 HydrophobicContact CE2-CG2 3.69Å; F1057-I1069 WeakPolarHBondContact CD1-O 3.34Å; F1057-I1069 HydrophobicContact CE1-CB 4.22Å; F1057-I1069 HydrophobicContact CE1-CG2 4.1Å; F1057-I1069 HydrophobicContact CE2-CB 4.22Å; F1057-I1069 HydrophobicContact CE2-CD1 4.32Å; F1057-I1069 HydrophobicContact CZ-CB 3.96Å; F1057-I1069 HydrophobicContact CZ-CD1 4.5Å; F1057-I1069 HydrophobicContact CZ-CG2 3.9Å; F1057-I1069 PolarHBondContact N-O 3.38Å; F1057-I1069 PolarHBondContact O-N 2.92Å
1058	P	94	Very high	91	Very high	62 Å²	62	60.2 Å²	60.2	40%	0.403	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	147.3	173.7	33.3	-33.4	0	0	0	111.8	M1066 L1067	P1058-M1066 HydrophobicContact CB-CG 3.93Å; P1058-M1066 HydrophobicContact CB-SD 3.67Å; P1058-L1067 CarbonylContact C-O 3.5Å; P1058-L1067 WeakPolarHBondContact CA-O 3.41Å
1059	V	93.8	Very high	91.1	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	114.4	170.2	-179	0	0	0	0	108.8	L508 R1041 L1042 F1057 L1061 M1066 L1067 I1069	L508-V1059 HydrophobicContact CD1-CG1 4.04Å; R1041-V1059 HydrophobicContact CB-CG1 3.99Å; L1042-V1059 HydrophobicContact CD2-CG1 4.3Å; L1042-V1059 HydrophobicContact CD2-CG2 3.83Å; F1057-V1059 HydrophobicContact CD2-CG2 3.8Å; F1057-V1059 HydrophobicContact CE2-CG2 3.69Å; V1059-L1061 PolarHBondContact O-N 3.01Å; V1059-M1066 WeakPolarHBondContact O-CA 3.07Å; V1059-L1067 HydrophobicContact CB-CB 4.29Å; V1059-L1067 PolarHBondContact N-O 2.89Å; V1059-L1067 PolarHBondContact O-N 3.43Å; V1059-I1069 HydrophobicContact CG2-CD1 4.01Å
1060	D	90.8	Very high	91.2	Very high	74 Å²	74	60.7 Å²	60.7	40%	0.396	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	103.4	173.1	-171.4	-11.7	0	0	0	109.7	R1041 E1062	R1041-D1060 WeakPolarHBondContact CD-O 3.43Å; D1060-E1062 PolarHBondContact OD1-N 3.3Å
1061	L	86.1	Confident	91.3	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.089	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-38.6	-176.5	-170.1	69.8	0	0	0	112.1	R504 L508 P1038 V1059 K1065 L1067	R504-L1061 HydrophobicContact CB-CD1 3.99Å; R504-L1061 HydrophobicContact CB-CD2 4.11Å; L508-L1061 HydrophobicContact CD1-CD1 3.94Å; P1038-L1061 HydrophobicContact CG-CD1 3.92Å; V1059-L1061 PolarHBondContact O-N 3.01Å; L1061-K1065 WeakPolarHBondContact CB-O 3.18Å; L1061-K1065 PolarHBondContact N-O 3.39Å; L1061-L1067 HydrophobicContact CD2-CD1 4.44Å
1062	E	81.7	Confident	91.3	Very high	60 Å²	60	62.8 Å²	62.8	28%	0.28	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	154.3	177.1	-68	179.4	157.6	0	0	106.9	R504 D1060 G1064 K1065	R504-E1062 IonicContact CZ-OE1 2.73Å; R504-E1062 IonicContact CZ-OE2 2.76Å; R504-E1062 VanDerWaalsContact NH1-CD 3.29Å; R504-E1062 IonicContact NH1-OE1 3.35Å; R504-E1062 PolarHBondContact NH1-OE1 3.17Å; R504-E1062 IonicContact NH1-OE2 3.57Å; R504-E1062 IonicContact NH2-OE1 3.87Å; R504-E1062 PolarHBondContact NH2-OE1 2.89Å; R504-E1062 IonicContact NH2-OE2 3.07Å; R504-E1062 PolarHBondContact NH2-OE2 2.9Å; D1060-E1062 PolarHBondContact OD1-N 3.3Å; E1062-G1064 PolarHBondContact O-N 3.47Å; E1062-K1065 HydrophobicContact CB-CB 4.38Å; E1062-K1065 HydrophobicContact CB-CD 4.33Å; E1062-K1065 WeakPolarHBondContact O-CA 3.44Å; E1062-K1065 PolarHBondContact O-N 3.22Å; E1062-K1065 WeakPolarHBondContact OE2-CD 3.47Å; E1062-K1065 WeakPolarHBondContact OE2-CE 3.29Å; E1062-K1065 IonicContact OE2-NZ 3.2Å; E1062-K1065 PolarHBondContact OE2-NZ 2.93Å
1063	T	80.3	Confident	91.4	Very high	146 Å²	146	59 Å²	59	90%	0.896	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	116.8	175.1	-51.1	0	0	0	0	111.6
1064	G	83.3	Confident	91.4	Very high	82 Å²	82	56.1 Å²	56.1	85%	0.845	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	6	-177.9	0	0	0	0	0	116.1	E1062	E1062-G1064 PolarHBondContact O-N 3.47Å
1065	K	86.2	Confident	91.3	Very high	112 Å²	112	54 Å²	54	49%	0.487	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	86	179.6	-63.3	-175.5	-169.5	161.5	0	111.3	L1061 E1062	L1061-K1065 WeakPolarHBondContact CB-O 3.18Å; L1061-K1065 PolarHBondContact N-O 3.39Å; E1062-K1065 HydrophobicContact CB-CB 4.38Å; E1062-K1065 HydrophobicContact CB-CD 4.33Å; E1062-K1065 WeakPolarHBondContact O-CA 3.44Å; E1062-K1065 PolarHBondContact O-N 3.22Å; E1062-K1065 WeakPolarHBondContact OE2-CD 3.47Å; E1062-K1065 WeakPolarHBondContact OE2-CE 3.29Å; E1062-K1065 IonicContact OE2-NZ 3.2Å; E1062-K1065 PolarHBondContact OE2-NZ 2.93Å
1066	M	91	Very high	91.1	Very high	95 Å²	95	59.8 Å²	59.8	47%	0.468	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.8	175.3	-166.1	165.9	-73.9	0	0	111	P1058 V1059	P1058-M1066 HydrophobicContact CB-CG 3.93Å; P1058-M1066 HydrophobicContact CB-SD 3.67Å; V1059-M1066 WeakPolarHBondContact O-CA 3.07Å
1067	L	92.3	Very high	90.9	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.1	168.6	-53.8	175.2	0	0	0	108.3	A505 L508 P1058 V1059 L1061 I1069 M1089 N1090	A505-L1067 HydrophobicContact CB-CD1 3.74Å; A505-L1067 HydrophobicContact CB-CD2 4.29Å; L508-L1067 HydrophobicContact CD1-CD1 4.41Å; P1058-L1067 CarbonylContact C-O 3.5Å; P1058-L1067 WeakPolarHBondContact CA-O 3.41Å; V1059-L1067 HydrophobicContact CB-CB 4.29Å; V1059-L1067 PolarHBondContact N-O 2.89Å; V1059-L1067 PolarHBondContact O-N 3.43Å; L1061-L1067 HydrophobicContact CD2-CD1 4.44Å; L1067-I1069 HydrophobicContact CB-CD1 4.32Å; L1067-I1069 HydrophobicContact CB-CG1 4.17Å; L1067-M1089 HydrophobicContact CD2-SD 4.46Å; L1067-N1090 WeakPolarHBondContact CA-OD1 3.29Å
1068	H	94.6	Very high	90.4	Very high	81 Å²	81	59.9 Å²	59.9	38%	0.375	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.3	166.1	-68.1	-93.2	0	0	0	107.5	E1056 M1089 N1090	E1056-H1068 IonicContact OE1-ND1 3.89Å; H1068-M1089 CarbonylContact O-C 3.31Å; H1068-M1089 VanDerWaalsContact O-CA 3.28Å; H1068-M1089 WeakPolarHBondContact O-CA 3.5Å; H1068-N1090 PolarHBondContact N-OD1 3.43Å; H1068-N1090 PolarHBondContact O-N 3.29Å
1069	I	95.4	Very high	89.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.4	-177.5	-59.3	171.5	0	0	0	108	L509 I512 E1056 F1057 V1059 L1067 F1087 E1088 M1089	L509-I1069 HydrophobicContact CD2-CD1 3.95Å; L509-I1069 HydrophobicContact CD2-CG1 4.21Å; L509-I1069 HydrophobicContact CD2-CG2 3.62Å; I512-I1069 HydrophobicContact CD1-CD1 4.11Å; E1056-I1069 CarbonylContact C-O 3.57Å; E1056-I1069 VanDerWaalsContact CA-O 3.3Å; E1056-I1069 WeakPolarHBondContact CA-O 3.39Å; F1057-I1069 WeakPolarHBondContact CD1-O 3.34Å; F1057-I1069 HydrophobicContact CE1-CB 4.22Å; F1057-I1069 HydrophobicContact CE1-CG2 4.1Å; F1057-I1069 HydrophobicContact CE2-CB 4.22Å; F1057-I1069 HydrophobicContact CE2-CD1 4.32Å; F1057-I1069 HydrophobicContact CZ-CB 3.96Å; F1057-I1069 HydrophobicContact CZ-CD1 4.5Å; F1057-I1069 HydrophobicContact CZ-CG2 3.9Å; F1057-I1069 PolarHBondContact N-O 3.38Å; F1057-I1069 PolarHBondContact O-N 2.92Å; V1059-I1069 HydrophobicContact CG2-CD1 4.01Å; L1067-I1069 HydrophobicContact CB-CD1 4.32Å; L1067-I1069 HydrophobicContact CB-CG1 4.17Å; I1069-F1087 HydrophobicContact CG2-CD1 4Å; I1069-E1088 CarbonylContact C-O 3.54Å; I1069-E1088 WeakPolarHBondContact CA-O 3.39Å; I1069-M1089 HydrophobicContact CG1-CG 4.23Å
1070	K	96.2	Very high	88.8	Confident	66 Å²	66	69.3 Å²	69.3	29%	0.287	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.3	172.2	-179.3	179.2	-176.2	173.7	0	110.4	E1055 E1056 L1072 F1087 E1088	E1055-K1070 VanDerWaalsContact O-CA 3.27Å; E1055-K1070 WeakPolarHBondContact O-CA 3.36Å; E1056-K1070 HydrophobicContact CB-CB 4.04Å; E1056-K1070 HydrophobicContact CB-CD 4.48Å; E1056-K1070 HydrophobicContact CB-CG 4.22Å; E1056-K1070 HydrophobicContact CG-CB 4.21Å; K1070-L1072 HydrophobicContact CD-CD2 4.22Å; K1070-L1072 HydrophobicContact CG-CD2 4.2Å; K1070-F1087 CarbonylContact O-C 3.52Å; K1070-F1087 VanDerWaalsContact O-CA 3.26Å; K1070-F1087 WeakPolarHBondContact O-CA 3.3Å; K1070-E1088 HydrophobicContact CB-CB 4.24Å; K1070-E1088 PolarHBondContact N-O 2.85Å; K1070-E1088 PolarHBondContact O-N 3.22Å
1071	T	94.5	Very high	88.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	126.6	175.5	24	0	0	0	0	110.9	M516 P1051 K1052 A1054 E1055 F1087	M516-T1071 HydrophobicContact CE-CG2 3.98Å; M516-T1071 HydrophobicContact SD-CG2 3.59Å; M516-T1071 VanDerWaalsContact SD-CG2 3.59Å; P1051-T1071 HydrophobicContact CB-CG2 4.31Å; P1051-T1071 WeakPolarHBondContact CB-OG1 3.46Å; P1051-T1071 HydrophobicContact CG-CG2 3.41Å; P1051-T1071 VanDerWaalsContact CG-CG2 3.41Å; P1051-T1071 WeakPolarHBondContact CG-OG1 3.44Å; K1052-T1071 PolarHBondContact O-OG1 3.39Å; A1054-T1071 WeakPolarHBondContact CA-O 3.33Å; A1054-T1071 PolarHBondContact N-O 3.17Å; E1055-T1071 PolarHBondContact O-N 2.8Å; E1055-T1071 VanDerWaalsContact O-N 3.12Å; E1055-T1071 PolarHBondContact O-OG1 2.97Å; T1071-F1087 HydrophobicContact CG2-CD1 3.44Å; T1071-F1087 VanDerWaalsContact CG2-CD1 3.44Å; T1071-F1087 HydrophobicContact CG2-CE1 3.27Å; T1071-F1087 HydrophobicContact CG2-CZ 4.36Å
1072	L	95.1	Very high	88.6	Confident	55 Å²	55	68.1 Å²	68.1	29%	0.288	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-48.2	-173.9	-61.2	179.7	0	0	0	112.9	I1053 K1070 F1086 E1088 L1093	I1053-L1072 WeakPolarHBondContact CG2-O 3.48Å; K1070-L1072 HydrophobicContact CD-CD2 4.22Å; K1070-L1072 HydrophobicContact CG-CD2 4.2Å; L1072-F1086 HydrophobicContact CB-CB 4.11Å; L1072-F1086 PolarHBondContact N-O 2.84Å; L1072-E1088 HydrophobicContact CD1-CB 4.13Å; L1072-E1088 HydrophobicContact CD2-CB 4.33Å; L1072-E1088 HydrophobicContact CG-CB 4.32Å; L1072-L1093 HydrophobicContact CD1-CD2 3.23Å
1073	A	95.2	Very high	89.1	Confident	39 Å²	39	68.6 Å²	68.6	32%	0.322	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	163	-176.4	0	0	0	0	0	111.9	F1086	A1073-F1086 HydrophobicContact CB-CB 4.42Å; A1073-F1086 HydrophobicContact CB-CD2 4.09Å; A1073-F1086 PolarHBondContact N-O 3.05Å; A1073-F1086 PolarHBondContact O-N 3.13Å
1074	V	94.2	Very high	89.6	Confident	51 Å²	51	63 Å²	63	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.4	166.5	173.3	0	0	0	0	107.7	M516 I517 R1083 V1085	M516-V1074 HydrophobicContact CE-CG2 3.73Å; I517-V1074 HydrophobicContact CD1-CB 4.46Å; I517-V1074 HydrophobicContact CD1-CG1 3.38Å; I517-V1074 HydrophobicContact CD1-CG2 4.23Å; V1074-R1083 HydrophobicContact CG1-CB 4.39Å; V1074-V1085 HydrophobicContact CG2-CG1 4.25Å; V1074-V1085 HydrophobicContact CG2-CG2 4.36Å
1075	G	91.6	Very high	90.1	Very high	19 Å²	19	59 Å²	59	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	167.2	177.7	0	0	0	0	0	113.2	E1084	G1075-E1084 PolarHBondContact N-O 2.84Å
1076	E	89.8	Confident	90.4	Very high	160 Å²	160	57.2 Å²	57.2	75%	0.748	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	162.4	174.1	-67.8	-59.8	156.3	0	0	112.5	T1078	E1076-T1078 PolarHBondContact O-N 3.25Å
1077	L	88.6	Confident	90.6	Very high	71 Å²	71	52.7 Å²	52.7	37%	0.372	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.1	176.1	-168.9	74	0	0	0	110.4	R1083 D1100 A1103	L1077-R1083 HydrophobicContact CD1-CG 4.1Å; L1077-D1100 HydrophobicContact CD1-CB 3.85Å; L1077-A1103 HydrophobicContact CD1-CB 3.76Å; L1077-A1103 HydrophobicContact CD2-CB 3.65Å; L1077-A1103 HydrophobicContact CG-CB 4.38Å
1078	T	84.8	Confident	90.6	Very high	52 Å²	52	55.2 Å²	55.2	32%	0.319	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-74	165.1	173.1	64.7	0	0	0	0	111	E1076 A1080 G1081 E1082 L1097	E1076-T1078 PolarHBondContact O-N 3.25Å; T1078-A1080 PolarHBondContact O-N 3.13Å; T1078-A1080 PolarHBondContact OG1-N 3Å; T1078-G1081 PolarHBondContact O-N 3.3Å; T1078-E1082 WeakPolarHBondContact CB-O 3.48Å; T1078-E1082 VanDerWaalsContact CG2-O 3.32Å; T1078-E1082 WeakPolarHBondContact CG2-O 3.41Å; T1078-E1082 PolarHBondContact N-O 3.28Å; T1078-E1082 PolarHBondContact OG1-N 3.48Å; T1078-E1082 VanDerWaalsContact OG1-N 3.16Å; T1078-E1082 PolarHBondContact OG1-O 3.46Å; T1078-L1097 HydrophobicContact CG2-CD2 4.49Å
1079	K	78.1	Confident	90.4	Very high	217 Å²	217	52.3 Å²	52.3	94%	0.943	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.1	174.4	-65.7	-175.6	178.7	-177.1	0	113.8
1080	A	74.6	Confident	90.2	Very high	44 Å²	44	56.3 Å²	56.3	36%	0.364	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.3	177.2	0	0	0	0	0	113.1	T1078 E1082 F1109	T1078-A1080 PolarHBondContact O-N 3.13Å; T1078-A1080 PolarHBondContact OG1-N 3Å; A1080-E1082 VanDerWaalsContact C-N 3.31Å; A1080-E1082 HydrophobicContact CB-CG 4.35Å; A1080-E1082 PolarHBondContact O-N 3.27Å; A1080-F1109 VanDerWaalsContact O-CZ 3.27Å; A1080-F1109 WeakPolarHBondContact O-CZ 3.41Å
1081	G	83.6	Confident	89.7	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	75.2	19.6	-177.1	0	0	0	0	0	114.1	T1078 D1100 I1107	T1078-G1081 PolarHBondContact O-N 3.3Å; G1081-D1100 PolarHBondContact O-N 3.04Å; G1081-I1107 VanDerWaalsContact CA-CD1 3.42Å
1082	E	89	Confident	89.3	Confident	65 Å²	65	59.6 Å²	59.6	30%	0.304	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	149.3	178.2	-54.3	179.1	136.8	0	0	110.7	T1078 A1080 L1097 I1098	T1078-E1082 WeakPolarHBondContact CB-O 3.48Å; T1078-E1082 VanDerWaalsContact CG2-O 3.32Å; T1078-E1082 WeakPolarHBondContact CG2-O 3.41Å; T1078-E1082 PolarHBondContact N-O 3.28Å; T1078-E1082 PolarHBondContact OG1-N 3.48Å; T1078-E1082 VanDerWaalsContact OG1-N 3.16Å; T1078-E1082 PolarHBondContact OG1-O 3.46Å; A1080-E1082 VanDerWaalsContact C-N 3.31Å; A1080-E1082 HydrophobicContact CB-CG 4.35Å; A1080-E1082 PolarHBondContact O-N 3.27Å; E1082-L1097 HydrophobicContact CB-CD2 4.44Å; E1082-I1098 CarbonylContact C-O 3.58Å; E1082-I1098 VanDerWaalsContact CA-O 3.27Å; E1082-I1098 WeakPolarHBondContact CA-O 3.47Å
1083	R	92.1	Very high	89	Confident	70 Å²	70	63.1 Å²	63.1	26%	0.264	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141	169.2	-67.9	176	-179.2	-94.2	4.7	109.5	I517 V1074 L1077 I1098 D1100	I517-R1083 HydrophobicContact CD1-CB 3.9Å; I517-R1083 HydrophobicContact CD1-CG 4.46Å; I517-R1083 HydrophobicContact CG1-CB 4.28Å; V1074-R1083 HydrophobicContact CG1-CB 4.39Å; L1077-R1083 HydrophobicContact CD1-CG 4.1Å; R1083-I1098 PolarHBondContact N-O 3.22Å; R1083-I1098 PolarHBondContact O-N 2.86Å; R1083-D1100 IonicContact CZ-OD2 2.87Å; R1083-D1100 IonicContact NE-OD2 2.81Å; R1083-D1100 PolarHBondContact NE-OD2 3.08Å; R1083-D1100 IonicContact NH2-OD2 3.69Å
1084	E	92.1	Very high	88.6	Confident	28 Å²	28	62.5 Å²	62.5	13%	0.131	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.1	176.6	-170.9	169.9	-179.3	0	0	110.1	R401 G1075 F1086 S1095 I1096 L1097	R401-E1084 IonicContact CZ-OE1 2.86Å; R401-E1084 IonicContact CZ-OE2 3.19Å; R401-E1084 IonicContact NH1-OE1 2.8Å; R401-E1084 PolarHBondContact NH1-OE1 3.34Å; R401-E1084 IonicContact NH1-OE2 3.23Å; R401-E1084 PolarHBondContact NH1-OE2 3.14Å; R401-E1084 IonicContact NH2-OE1 2.66Å; R401-E1084 PolarHBondContact NH2-OE1 2.84Å; R401-E1084 IonicContact NH2-OE2 2.65Å; G1075-E1084 PolarHBondContact N-O 2.84Å; E1084-F1086 HydrophobicContact CB-CE2 4.1Å; E1084-F1086 HydrophobicContact CB-CZ 4.18Å; E1084-F1086 VanDerWaalsContact CD-CZ 3.41Å; E1084-F1086 HydrophobicContact CG-CE1 4.07Å; E1084-F1086 HydrophobicContact CG-CE2 3.91Å; E1084-F1086 HydrophobicContact CG-CZ 3.65Å; E1084-F1086 WeakPolarHBondContact OE1-CE1 3.48Å; E1084-S1095 WeakPolarHBondContact OE1-CB 3.14Å; E1084-S1095 PolarHBondContact OE1-OG 3.41Å; E1084-I1096 WeakPolarHBondContact CA-O 3.23Å; E1084-L1097 HydrophobicContact CB-CD2 3.84Å; E1084-L1097 HydrophobicContact CG-CD2 4.26Å
1085	V	93.1	Very high	88.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.6	175.9	-171	0	0	0	0	109.1	M516 I517 V1074 F1087 S1095 I1096 I1098	M516-V1085 HydrophobicContact CE-CG1 4.4Å; M516-V1085 HydrophobicContact SD-CG1 3.86Å; I517-V1085 HydrophobicContact CD1-CG2 3.98Å; I517-V1085 HydrophobicContact CG1-CG2 3.93Å; V1074-V1085 HydrophobicContact CG2-CG1 4.25Å; V1074-V1085 HydrophobicContact CG2-CG2 4.36Å; V1085-F1087 HydrophobicContact CB-CE2 3.8Å; V1085-F1087 HydrophobicContact CB-CZ 4.13Å; V1085-F1087 HydrophobicContact CG1-CD2 4.26Å; V1085-F1087 HydrophobicContact CG1-CE1 4.11Å; V1085-F1087 HydrophobicContact CG1-CE2 3.49Å; V1085-F1087 VanDerWaalsContact CG1-CE2 3.49Å; V1085-F1087 HydrophobicContact CG1-CZ 3.39Å; V1085-S1095 CarbonylContact O-C 3.52Å; V1085-S1095 VanDerWaalsContact O-CA 3.25Å; V1085-S1095 WeakPolarHBondContact O-CA 3.33Å; V1085-I1096 PolarHBondContact N-O 3.11Å; V1085-I1096 PolarHBondContact O-N 3.16Å; V1085-I1098 HydrophobicContact CG2-CG1 4.07Å
1086	F	93.5	Very high	88.1	Confident	73 Å²	73	60.2 Å²	60.2	32%	0.32	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.8	-177.7	-61.4	-90.1	0	0	0	110.5	L1072 A1073 E1084 R1094	L1072-F1086 HydrophobicContact CB-CB 4.11Å; L1072-F1086 PolarHBondContact N-O 2.84Å; A1073-F1086 HydrophobicContact CB-CB 4.42Å; A1073-F1086 HydrophobicContact CB-CD2 4.09Å; A1073-F1086 PolarHBondContact N-O 3.05Å; A1073-F1086 PolarHBondContact O-N 3.13Å; E1084-F1086 HydrophobicContact CB-CE2 4.1Å; E1084-F1086 HydrophobicContact CB-CZ 4.18Å; E1084-F1086 VanDerWaalsContact CD-CZ 3.41Å; E1084-F1086 HydrophobicContact CG-CE1 4.07Å; E1084-F1086 HydrophobicContact CG-CE2 3.91Å; E1084-F1086 HydrophobicContact CG-CZ 3.65Å; E1084-F1086 WeakPolarHBondContact OE1-CE1 3.48Å; F1086-R1094 WeakPolarHBondContact CA-O 3.35Å
1087	F	93.8	Very high	88.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	154.4	177.5	-56.6	-89.7	0	0	0	110	L509 I512 M516 I1069 K1070 T1071 V1085 L1093 R1094	L509-F1087 HydrophobicContact CB-CD2 4.4Å; L509-F1087 HydrophobicContact CB-CE2 4.29Å; L509-F1087 HydrophobicContact CD1-CD2 4.47Å; L509-F1087 HydrophobicContact CD2-CB 4.1Å; L509-F1087 HydrophobicContact CD2-CD1 3.81Å; L509-F1087 HydrophobicContact CD2-CD2 4.12Å; L509-F1087 HydrophobicContact CD2-CE1 4.2Å; L509-F1087 HydrophobicContact CD2-CE2 4.49Å; L509-F1087 HydrophobicContact CD2-CG 3.76Å; I512-F1087 HydrophobicContact CB-CE1 4.2Å; I512-F1087 HydrophobicContact CB-CZ 4.26Å; I512-F1087 HydrophobicContact CG2-CE1 3.63Å; I512-F1087 HydrophobicContact CG2-CZ 4.01Å; M516-F1087 HydrophobicContact SD-CE1 4.43Å; I1069-F1087 HydrophobicContact CG2-CD1 4Å; K1070-F1087 CarbonylContact O-C 3.52Å; K1070-F1087 VanDerWaalsContact O-CA 3.26Å; K1070-F1087 WeakPolarHBondContact O-CA 3.3Å; T1071-F1087 HydrophobicContact CG2-CD1 3.44Å; T1071-F1087 VanDerWaalsContact CG2-CD1 3.44Å; T1071-F1087 HydrophobicContact CG2-CE1 3.27Å; T1071-F1087 HydrophobicContact CG2-CZ 4.36Å; V1085-F1087 HydrophobicContact CB-CE2 3.8Å; V1085-F1087 HydrophobicContact CB-CZ 4.13Å; V1085-F1087 HydrophobicContact CG1-CD2 4.26Å; V1085-F1087 HydrophobicContact CG1-CE1 4.11Å; V1085-F1087 HydrophobicContact CG1-CE2 3.49Å; V1085-F1087 VanDerWaalsContact CG1-CE2 3.49Å; V1085-F1087 HydrophobicContact CG1-CZ 3.39Å; F1087-L1093 CarbonylContact O-C 3.18Å; F1087-L1093 WeakPolarHBondContact O-CA 3.44Å; F1087-R1094 HydrophobicContact CB-CB 4.3Å; F1087-R1094 PolarHBondContact N-O 2.79Å; F1087-R1094 PolarHBondContact O-N 3.28Å; F1087-R1094 VanDerWaalsContact O-O 3.06Å
1088	E	92.9	Very high	88.2	Confident	69 Å²	69	52.2 Å²	52.2	32%	0.322	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.1	155.7	-172	-177	137.1	0	0	107.2	I1069 K1070 L1072 Q1092	I1069-E1088 CarbonylContact C-O 3.54Å; I1069-E1088 WeakPolarHBondContact CA-O 3.39Å; K1070-E1088 HydrophobicContact CB-CB 4.24Å; K1070-E1088 PolarHBondContact N-O 2.85Å; K1070-E1088 PolarHBondContact O-N 3.22Å; L1072-E1088 HydrophobicContact CD1-CB 4.13Å; L1072-E1088 HydrophobicContact CD2-CB 4.33Å; L1072-E1088 HydrophobicContact CG-CB 4.32Å; E1088-Q1092 CarbonylContact C-O 3.53Å; E1088-Q1092 WeakPolarHBondContact CA-O 3.44Å
1089	M	90.5	Very high	88.4	Confident	20 Å²	20	52.2 Å²	52.2	10%	0.099	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.8	178.8	-176.9	-176.3	70	0	0	109.1	A505 L509 L1067 H1068 I1069 G1091 Q1092 R1094	A505-M1089 HydrophobicContact CB-CE 4.19Å; A505-M1089 HydrophobicContact CB-SD 3.77Å; L509-M1089 HydrophobicContact CD1-SD 3.93Å; L509-M1089 HydrophobicContact CG-SD 4.35Å; L1067-M1089 HydrophobicContact CD2-SD 4.46Å; H1068-M1089 CarbonylContact O-C 3.31Å; H1068-M1089 VanDerWaalsContact O-CA 3.28Å; H1068-M1089 WeakPolarHBondContact O-CA 3.5Å; I1069-M1089 HydrophobicContact CG1-CG 4.23Å; M1089-G1091 VanDerWaalsContact C-N 3.28Å; M1089-G1091 PolarHBondContact O-N 2.88Å; M1089-Q1092 PolarHBondContact N-O 2.67Å; M1089-Q1092 PolarHBondContact O-N 3.18Å; M1089-R1094 HydrophobicContact CB-CG 4.12Å; M1089-R1094 HydrophobicContact CE-CG 4.3Å
1090	N	90.3	Very high	89	Confident	84 Å²	84	42.6 Å²	42.6	45%	0.449	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	47.6	-174.8	-66.2	-7.9	0	0	0	112.2	L1067 H1068 Q1092	L1067-N1090 WeakPolarHBondContact CA-OD1 3.29Å; H1068-N1090 PolarHBondContact N-OD1 3.43Å; H1068-N1090 PolarHBondContact O-N 3.29Å; N1090-Q1092 VanDerWaalsContact C-N 3.27Å; N1090-Q1092 PolarHBondContact O-N 2.77Å
1091	G	86.9	Confident	89.5	Confident	58 Å²	58	46.3 Å²	46.3	60%	0.598	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	7.1	-179.9	0	0	0	0	0	115.2	M1089	M1089-G1091 VanDerWaalsContact C-N 3.28Å; M1089-G1091 PolarHBondContact O-N 2.88Å
1092	Q	85.8	Confident	89.3	Confident	77 Å²	77	52.4 Å²	52.4	36%	0.36	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134	-178.3	-58.1	-170.6	-2.7	0	0	113	E1088 M1089 N1090 R1094	E1088-Q1092 CarbonylContact C-O 3.53Å; E1088-Q1092 WeakPolarHBondContact CA-O 3.44Å; M1089-Q1092 PolarHBondContact N-O 2.67Å; M1089-Q1092 PolarHBondContact O-N 3.18Å; N1090-Q1092 VanDerWaalsContact C-N 3.27Å; N1090-Q1092 PolarHBondContact O-N 2.77Å; Q1092-R1094 VanDerWaalsContact CB-NH1 3.26Å; Q1092-R1094 PolarHBondContact O-N 3.49Å; Q1092-R1094 VanDerWaalsContact OE1-CZ 3.31Å
1093	L	89.4	Confident	88.6	Confident	129 Å²	129	50.2 Å²	50.2	68%	0.675	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	137.2	174	-62.7	176.3	0	0	0	111.2	L1072 F1087	L1072-L1093 HydrophobicContact CD1-CD2 3.23Å; F1087-L1093 CarbonylContact O-C 3.18Å; F1087-L1093 WeakPolarHBondContact O-CA 3.44Å
1094	R	86.2	Confident	87.1	Confident	26 Å²	26	48.4 Å²	48.4	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.6	174.7	-66.4	-64.3	-176.6	-88.7	-1.2	107.9	V404 L509 F1086 F1087 M1089 Q1092	V404-R1094 VanDerWaalsContact CG2-NE 3.35Å; L509-R1094 HydrophobicContact CD1-CB 3.98Å; L509-R1094 HydrophobicContact CD1-CG 4.09Å; F1086-R1094 WeakPolarHBondContact CA-O 3.35Å; F1087-R1094 HydrophobicContact CB-CB 4.3Å; F1087-R1094 PolarHBondContact N-O 2.79Å; F1087-R1094 PolarHBondContact O-N 3.28Å; F1087-R1094 VanDerWaalsContact O-O 3.06Å; M1089-R1094 HydrophobicContact CB-CG 4.12Å; M1089-R1094 HydrophobicContact CE-CG 4.3Å; Q1092-R1094 VanDerWaalsContact CB-NH1 3.26Å; Q1092-R1094 PolarHBondContact O-N 3.49Å; Q1092-R1094 VanDerWaalsContact OE1-CZ 3.31Å
1095	S	87.9	Confident	85.7	Confident	15 Å²	15	54.4 Å²	54.4	11%	0.105	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.7	167.9	69.7	0	0	0	0	110.8	E1084 V1085	E1084-S1095 WeakPolarHBondContact OE1-CB 3.14Å; E1084-S1095 PolarHBondContact OE1-OG 3.41Å; V1085-S1095 CarbonylContact O-C 3.52Å; V1085-S1095 VanDerWaalsContact O-CA 3.25Å; V1085-S1095 WeakPolarHBondContact O-CA 3.33Å
1096	I	87.3	Confident	83.7	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.8	-178.7	-57.1	-169.6	0	0	0	108.9	Q506 L509 R510 E1084 V1085 I1098	Q506-I1096 HydrophobicContact CG-CD1 4.41Å; L509-I1096 HydrophobicContact CB-CD1 3.26Å; L509-I1096 HydrophobicContact CB-CG1 4.45Å; L509-I1096 HydrophobicContact CD1-CD1 4.3Å; L509-I1096 HydrophobicContact CG-CD1 4.42Å; R510-I1096 HydrophobicContact CB-CD1 4.38Å; R510-I1096 HydrophobicContact CB-CG2 4.41Å; R510-I1096 HydrophobicContact CG-CG2 4.31Å; E1084-I1096 WeakPolarHBondContact CA-O 3.23Å; V1085-I1096 PolarHBondContact N-O 3.11Å; V1085-I1096 PolarHBondContact O-N 3.16Å; I1096-I1098 HydrophobicContact CG2-CD1 3.73Å; I1096-I1098 HydrophobicContact CG2-CG1 4.29Å
1097	L	88.4	Confident	81.8	Confident	54 Å²	54	58.5 Å²	58.5	28%	0.283	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.8	170.8	-68.8	166.7	0	0	0	110	T1078 E1082 E1084	T1078-L1097 HydrophobicContact CG2-CD2 4.49Å; E1082-L1097 HydrophobicContact CB-CD2 4.44Å; E1084-L1097 HydrophobicContact CB-CD2 3.84Å; E1084-L1097 HydrophobicContact CG-CD2 4.26Å
1098	I	91.1	Very high	79.8	Confident	8 Å²	8	63.9 Å²	63.9	4%	0.041	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.5	179.8	-58.8	-64.1	0	0	0	108.2	R510 N514 I517 E1082 R1083 V1085 I1096 D1100	R510-I1098 HydrophobicContact CG-CD1 3.83Å; R510-I1098 WeakPolarHBondContact O-CD1 3.49Å; N514-I1098 HydrophobicContact CB-CG2 4.4Å; I517-I1098 HydrophobicContact CB-CG2 3.89Å; I517-I1098 HydrophobicContact CG1-CB 4.04Å; I517-I1098 HydrophobicContact CG1-CG2 3.87Å; I517-I1098 HydrophobicContact CG2-CG2 4.29Å; E1082-I1098 CarbonylContact C-O 3.58Å; E1082-I1098 VanDerWaalsContact CA-O 3.27Å; E1082-I1098 WeakPolarHBondContact CA-O 3.47Å; R1083-I1098 PolarHBondContact N-O 3.22Å; R1083-I1098 PolarHBondContact O-N 2.86Å; V1085-I1098 HydrophobicContact CG2-CG1 4.07Å; I1096-I1098 HydrophobicContact CG2-CD1 3.73Å; I1096-I1098 HydrophobicContact CG2-CG1 4.29Å; I1098-D1100 PolarHBondContact O-N 2.95Å
1099	S	89.4	Confident	78	Confident	52 Å²	52	66.1 Å²	66.1	36%	0.364	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.9	172.8	173.9	0	0	0	0	110.3	N518 K1101 T1104	N518-S1099 PolarHBondContact ND2-O 3.37Å; N518-S1099 PolarHBondContact OD1-O 2.8Å; S1099-K1101 PolarHBondContact O-N 3.17Å; S1099-T1104 PolarHBondContact OG-OG1 3.35Å
1100	D	90.7	Very high	76.9	Confident	15 Å²	15	68.3 Å²	68.3	8%	0.08	37%	0.374	C	S	.	.			trans	-84	106.9	174	-178	-34.7	0	0	0	108.1	I517 L1077 G1081 R1083 I1098 E1102 A1103 T1104	I517-D1100 HydrophobicContact CG2-CB 3.86Å; L1077-D1100 HydrophobicContact CD1-CB 3.85Å; G1081-D1100 PolarHBondContact O-N 3.04Å; R1083-D1100 IonicContact CZ-OD2 2.87Å; R1083-D1100 IonicContact NE-OD2 2.81Å; R1083-D1100 PolarHBondContact NE-OD2 3.08Å; R1083-D1100 IonicContact NH2-OD2 3.69Å; I1098-D1100 PolarHBondContact O-N 2.95Å; D1100-E1102 VanDerWaalsContact C-N 3.28Å; D1100-E1102 PolarHBondContact O-N 3.27Å; D1100-E1102 PolarHBondContact OD1-N 3.21Å; D1100-E1102 VanDerWaalsContact OD1-N 3.17Å; D1100-A1103 HydrophobicContact CB-CB 4Å; D1100-A1103 PolarHBondContact O-N 2.93Å; D1100-A1103 PolarHBondContact OD1-N 3.4Å; D1100-T1104 VanDerWaalsContact O-CB 3.25Å; D1100-T1104 WeakPolarHBondContact O-CB 3.42Å; D1100-T1104 PolarHBondContact O-N 3.45Å; D1100-T1104 PolarHBondContact O-OG1 2.9Å
1101	K	85.5	Confident	76	Confident	123 Å²	123	67.2 Å²	67.2	54%	0.535	37%	0.372	S	S	.	.	H	α-helix	trans	-65.8	-29.8	-172.2	-70.2	178.9	-177.3	177.8	0	112.7	N518 S1099 K1105	N518-K1101 HydrophobicContact CB-CD 4.3Å; N518-K1101 WeakPolarHBondContact OD1-CB 3.41Å; N518-K1101 WeakPolarHBondContact OD1-CG 3.38Å; N518-K1101 PolarHBondContact OD1-N 3.47Å; S1099-K1101 PolarHBondContact O-N 3.17Å; K1101-K1105 WeakPolarHBondContact O-CG 3.45Å
1102	E	78.1	Confident	75.8	Confident	127 Å²	127	69.5 Å²	69.5	59%	0.593	37%	0.365	S	S	*	.	H	α-helix	trans	-76	-45.2	177.6	-71.9	-57	138.6	0	0	110.7	D1100 T1104 K1105	D1100-E1102 VanDerWaalsContact C-N 3.28Å; D1100-E1102 PolarHBondContact O-N 3.27Å; D1100-E1102 PolarHBondContact OD1-N 3.21Å; D1100-E1102 VanDerWaalsContact OD1-N 3.17Å; E1102-T1104 VanDerWaalsContact C-N 3.31Å; E1102-T1104 PolarHBondContact O-N 3Å; E1102-K1105 PolarHBondContact O-N 2.83Å; E1102-K1105 IonicContact OE1-NZ 2.83Å; E1102-K1105 PolarHBondContact OE1-NZ 2.87Å; E1102-K1105 IonicContact OE2-NZ 3.29Å; E1102-K1105 PolarHBondContact OE2-NZ 2.74Å
1103	A	74.5	Confident	75.5	Confident	19 Å²	19	66.6 Å²	66.6	16%	0.157	35%	0.354	C	S	.	.	H	α-helix	trans	-64.6	-37.9	176.7	0	0	0	0	0	112.1	L1077 D1100 K1105 S1106	L1077-A1103 HydrophobicContact CD1-CB 3.76Å; L1077-A1103 HydrophobicContact CD2-CB 3.65Å; L1077-A1103 HydrophobicContact CG-CB 4.38Å; D1100-A1103 HydrophobicContact CB-CB 4Å; D1100-A1103 PolarHBondContact O-N 2.93Å; D1100-A1103 PolarHBondContact OD1-N 3.4Å; A1103-K1105 PolarHBondContact O-N 3.5Å; A1103-S1106 PolarHBondContact O-N 2.95Å; A1103-S1106 PolarHBondContact O-OG 3.38Å
1104	T	61.8	Low	75.1	Confident	33 Å²	33	65.6 Å²	65.6	20%	0.202	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-25.1	-178.4	-57.5	0	0	0	0	112.5	S1099 D1100 E1102 S1106 I1107 F1109	S1099-T1104 PolarHBondContact OG-OG1 3.35Å; D1100-T1104 VanDerWaalsContact O-CB 3.25Å; D1100-T1104 WeakPolarHBondContact O-CB 3.42Å; D1100-T1104 PolarHBondContact O-N 3.45Å; D1100-T1104 PolarHBondContact O-OG1 2.9Å; E1102-T1104 VanDerWaalsContact C-N 3.31Å; E1102-T1104 PolarHBondContact O-N 3Å; T1104-S1106 PolarHBondContact O-N 3.49Å; T1104-S1106 VanDerWaalsContact O-N 3.15Å; T1104-I1107 PolarHBondContact O-N 2.62Å; T1104-I1107 VanDerWaalsContact O-N 3.16Å; T1104-F1109 HydrophobicContact CG2-CD2 3.74Å; T1104-F1109 HydrophobicContact CG2-CE2 3.62Å
1105	K	61.9	Low	74.5	Confident	153 Å²	153	73 Å²	73	67%	0.665	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.9	172.1	-69	171.7	-168.6	166.9	0	113	K1101 E1102 A1103	K1101-K1105 WeakPolarHBondContact O-CG 3.45Å; E1102-K1105 PolarHBondContact O-N 2.83Å; E1102-K1105 IonicContact OE1-NZ 2.83Å; E1102-K1105 PolarHBondContact OE1-NZ 2.87Å; E1102-K1105 IonicContact OE2-NZ 3.29Å; E1102-K1105 PolarHBondContact OE2-NZ 2.74Å; A1103-K1105 PolarHBondContact O-N 3.5Å
1106	S	52.7	Low	73.8	Confident	105 Å²	105	76.2 Å²	76.2	73%	0.734	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-11.5	179.5	71.5	0	0	0	0	114.4	A1103 T1104	A1103-S1106 PolarHBondContact O-N 2.95Å; A1103-S1106 PolarHBondContact O-OG 3.38Å; T1104-S1106 PolarHBondContact O-N 3.49Å; T1104-S1106 VanDerWaalsContact O-N 3.15Å
1107	I	53.3	Low	73.6	Confident	55 Å²	55	79.6 Å²	79.6	28%	0.282	44%	0.439	S	S	.	.	S	Bend	trans	-102.8	121.1	-175.5	-60	166.5	0	0	0	109.3	G1081 T1104 F1109	G1081-I1107 VanDerWaalsContact CA-CD1 3.42Å; T1104-I1107 PolarHBondContact O-N 2.62Å; T1104-I1107 VanDerWaalsContact O-N 3.16Å; I1107-F1109 HydrophobicContact CB-CD2 4.38Å; I1107-F1109 HydrophobicContact CB-CE2 4.23Å; I1107-F1109 HydrophobicContact CG2-CD2 4.06Å; I1107-F1109 HydrophobicContact CG2-CE2 3.87Å; I1107-F1109 PolarHBondContact O-N 3.28Å
1108	S	50.3	Low	73.3	Confident	112 Å²	112	84.5 Å²	84.5	78%	0.783	46%	0.458	S	S	*	.			trans	-72.4	93.6	178	62.6	0	0	0	0	111.2
1109	F	56.3	Low	73	Confident	116 Å²	116	84.4 Å²	84.4	51%	0.509	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-79.4	142.4	167.1	-83.6	-88.3	0	0	0	110.9	A1080 T1104 I1107	A1080-F1109 VanDerWaalsContact O-CZ 3.27Å; A1080-F1109 WeakPolarHBondContact O-CZ 3.41Å; T1104-F1109 HydrophobicContact CG2-CD2 3.74Å; T1104-F1109 HydrophobicContact CG2-CE2 3.62Å; I1107-F1109 HydrophobicContact CB-CD2 4.38Å; I1107-F1109 HydrophobicContact CB-CE2 4.23Å; I1107-F1109 HydrophobicContact CG2-CD2 4.06Å; I1107-F1109 HydrophobicContact CG2-CE2 3.87Å; I1107-F1109 PolarHBondContact O-N 3.28Å
1110	H	67.2	Low	73.1	Confident	67 Å²	67	82.4 Å²	82.4	31%	0.31	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-68	127.7	164.4	-59.6	-51.2	0	0	0	108.3	M1175 D1181	H1110-M1175 WeakPolarHBondContact CE1-CE 3.27Å; H1110-M1175 WeakPolarHBondContact ND1-CE 3.48Å; H1110-M1175 WeakPolarHBondContact NE2-CE 3.23Å; H1110-D1181 HydrophobicContact CB-CB 4.36Å
1111	P	72.3	Confident	73	Confident	61 Å²	61	82.5 Å²	82.5	40%	0.396	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-55.2	145.7	175.8	19.4	-28.2	0	0	0	109.6	L1182	P1111-L1182 HydrophobicContact CB-CB 4.36Å; P1111-L1182 HydrophobicContact CB-CD2 4.2Å; P1111-L1182 HydrophobicContact CG-CB 4.24Å; P1111-L1182 HydrophobicContact CG-CD2 4.13Å; P1111-L1182 WeakPolarHBondContact O-CA 3.36Å; P1111-L1182 WeakPolarHBondContact O-CB 3.34Å; P1111-L1182 PolarHBondContact O-N 2.85Å
1112	K	81.3	Confident	73.2	Confident	106 Å²	106	77.6 Å²	77.6	46%	0.461	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-87.3	149.8	173.6	-63.4	-63.3	-171.1	-179.6	0	109.8	G1179 D1180 D1181	K1112-G1179 PolarHBondContact NZ-O 3.16Å; K1112-D1180 CarbonylContact C-O 3.56Å; K1112-D1180 VanDerWaalsContact CA-O 3.25Å; K1112-D1180 WeakPolarHBondContact CA-O 3.22Å; K1112-D1180 HydrophobicContact CD-CB 4.03Å; K1112-D1180 WeakPolarHBondContact CD-O 3.17Å; K1112-D1181 WeakPolarHBondContact CE-OD1 3.41Å; K1112-D1181 IonicContact NZ-OD1 3.79Å; K1112-D1181 PolarHBondContact NZ-OD1 2.7Å
1113	A	80.9	Confident	73.6	Confident	16 Å²	16	71.6 Å²	71.6	13%	0.132	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-61.5	137.5	175.2	0	0	0	0	0	112.1	K1115 G1122 D1180 L1182	A1113-K1115 PolarHBondContact O-N 3.23Å; A1113-G1122 VanDerWaalsContact CB-CA 3.46Å; A1113-D1180 PolarHBondContact N-O 3.14Å; A1113-L1182 HydrophobicContact CB-CD1 4.22Å
1114	L	81	Confident	73.9	Confident	108 Å²	108	74.1 Å²	74.1	57%	0.565	42%	0.416	S	S	*	.			trans	-72.4	109.7	-178.9	-67.8	174.4	0	0	0	110.2	G1116 V1117 S1120	L1114-G1116 PolarHBondContact O-N 3.1Å; L1114-V1117 HydrophobicContact CB-CB 4.05Å; L1114-V1117 HydrophobicContact CB-CG2 3.89Å; L1114-V1117 HydrophobicContact CD1-CG2 4.4Å; L1114-V1117 PolarHBondContact O-N 2.87Å; L1114-V1117 VanDerWaalsContact O-N 3.09Å; L1114-S1120 PolarHBondContact N-OG 3.03Å
1115	K	73	Confident	74.8	Confident	180 Å²	180	73.7 Å²	73.7	78%	0.783	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	121.1	179.9	-63.6	-168.9	177.9	-171.1	0	110.4	A1113 D1180	A1113-K1115 PolarHBondContact O-N 3.23Å; K1115-D1180 IonicContact NZ-OD2 3.56Å; K1115-D1180 PolarHBondContact NZ-OD2 2.99Å
1116	G	73.6	Confident	75.5	Confident	83 Å²	83	70.2 Å²	70.2	86%	0.856	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-17.3	-178.7	0	0	0	0	0	114.7	L1114 K1118	L1114-G1116 PolarHBondContact O-N 3.1Å; G1116-K1118 PolarHBondContact O-N 3.01Å
1117	V	83	Confident	76.9	Confident	79 Å²	79	66 Å²	66	48%	0.479	38%	0.379	S	S	.	.			trans	-92.2	103.5	175.4	-177	0	0	0	0	108.6	L1114 G1119 S1120	L1114-V1117 HydrophobicContact CB-CB 4.05Å; L1114-V1117 HydrophobicContact CB-CG2 3.89Å; L1114-V1117 HydrophobicContact CD1-CG2 4.4Å; L1114-V1117 PolarHBondContact O-N 2.87Å; L1114-V1117 VanDerWaalsContact O-N 3.09Å; V1117-G1119 PolarHBondContact O-N 3.26Å; V1117-G1119 VanDerWaalsContact O-N 3.15Å; V1117-S1120 PolarHBondContact O-N 2.99Å
1118	K	81.2	Confident	78.4	Confident	157 Å²	157	67.6 Å²	67.6	68%	0.683	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.8	-175.7	-68.2	-175	-179.8	176.2	0	113.7	G1116 S1120 P1161 I1162	G1116-K1118 PolarHBondContact O-N 3.01Å; K1118-S1120 VanDerWaalsContact C-N 3.3Å; K1118-P1161 WeakPolarHBondContact O-CG 3.26Å; K1118-I1162 HydrophobicContact CB-CG2 3.78Å; K1118-I1162 HydrophobicContact CD-CG2 4.25Å
1119	G	85.3	Confident	80.1	Confident	5 Å²	5	62.3 Å²	62.3	5%	0.052	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.2	177.2	0	0	0	0	0	115.1	V1117 I1121 D1185 I1186	V1117-G1119 PolarHBondContact O-N 3.26Å; V1117-G1119 VanDerWaalsContact O-N 3.15Å; G1119-I1121 PolarHBondContact O-N 2.99Å; G1119-D1185 CarbonylContact O-C 3.55Å; G1119-D1185 WeakPolarHBondContact O-CA 3.39Å; G1119-I1186 VanDerWaalsContact CA-O 3.28Å; G1119-I1186 WeakPolarHBondContact CA-O 3.41Å; G1119-I1186 PolarHBondContact O-N 3.47Å
1120	S	90.7	Very high	81.5	Confident	11 Å²	11	59.5 Å²	59.5	8%	0.077	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	96.9	178.3	-163.8	0	0	0	0	109.2	L1114 V1117 K1118 L1182 D1185	L1114-S1120 PolarHBondContact N-OG 3.03Å; V1117-S1120 PolarHBondContact O-N 2.99Å; K1118-S1120 VanDerWaalsContact C-N 3.3Å; S1120-L1182 VanDerWaalsContact OG-CD1 3.24Å; S1120-L1182 WeakPolarHBondContact OG-CD1 3.34Å; S1120-D1185 PolarHBondContact OG-OD1 3.27Å
1121	I	89.7	Confident	82.4	Confident	16 Å²	16	58.8 Å²	58.8	8%	0.082	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.1	-169.8	-55.4	178.3	0	0	0	109.9	G1119 L1146 I1158 P1161 L1183 F1184 I1186	G1119-I1121 PolarHBondContact O-N 2.99Å; I1121-L1146 HydrophobicContact CD1-CD1 3.34Å; I1121-I1158 HydrophobicContact CG2-CG2 4.09Å; I1121-P1161 VanDerWaalsContact CD1-CD 3.43Å; I1121-P1161 HydrophobicContact CD1-CG 4.3Å; I1121-P1161 HydrophobicContact CG1-CG 4.25Å; I1121-L1183 WeakPolarHBondContact O-CB 3.3Å; I1121-L1183 PolarHBondContact O-N 3.3Å; I1121-F1184 HydrophobicContact CB-CB 4.21Å; I1121-F1184 HydrophobicContact CB-CD2 4.46Å; I1121-F1184 HydrophobicContact CD1-CB 4.23Å; I1121-F1184 HydrophobicContact CG2-CD2 4.43Å; I1121-F1184 PolarHBondContact N-O 3.18Å; I1121-F1184 PolarHBondContact O-N 2.9Å; I1121-I1186 HydrophobicContact CD1-CD1 3.49Å; I1121-I1186 VanDerWaalsContact CD1-CD1 3.49Å; I1121-I1186 HydrophobicContact CD1-CG1 4.14Å
1122	G	88.9	Confident	83.4	Confident	21 Å²	21	58 Å²	58	22%	0.216	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	160.8	175.6	0	0	0	0	0	113.7	A1113 P1124 D1181	A1113-G1122 VanDerWaalsContact CB-CA 3.46Å; G1122-P1124 WeakPolarHBondContact O-CD 3.47Å; G1122-D1181 CarbonylContact C-O 3.6Å; G1122-D1181 WeakPolarHBondContact CA-O 3.26Å
1123	S	87	Confident	83.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	33%	0.331	C	S	.	.			trans	-66.8	124.9	171.4	-170.9	0	0	0	0	110.2	M1125 V1177 S1178 D1180 D1181	S1123-M1125 VanDerWaalsContact C-N 3.26Å; S1123-M1125 PolarHBondContact O-N 3.33Å; S1123-M1125 PolarHBondContact OG-O 3.21Å; S1123-V1177 WeakPolarHBondContact OG-CG2 3.4Å; S1123-S1178 WeakPolarHBondContact CB-O 3.25Å; S1123-D1180 PolarHBondContact O-N 3.04Å; S1123-D1181 PolarHBondContact N-O 3.01Å
1124	P	80.8	Confident	84.4	Confident	71 Å²	71	56.5 Å²	56.5	46%	0.461	33%	0.327	S	S	.	.	S	Bend	trans	-70	-22.1	-178.4	27.2	-35.7	0	0	0	113.3	G1122 L1149 M1156 I1158	G1122-P1124 WeakPolarHBondContact O-CD 3.47Å; P1124-L1149 HydrophobicContact CG-CD2 4.49Å; P1124-M1156 HydrophobicContact CB-CE 4.08Å; P1124-M1156 HydrophobicContact CG-CE 3.21Å; P1124-I1158 VanDerWaalsContact CD-CD1 3.45Å; P1124-I1158 HydrophobicContact CG-CD1 3.56Å
1125	M	79.9	Confident	84.9	Confident	25 Å²	25	58.5 Å²	58.5	12%	0.123	33%	0.332	C	S	.	.	S	Bend	trans	-156.2	161.6	177.8	60.8	179.4	-179.9	0	0	111.5	S1123 G1127 L1149 A1151 M1156	S1123-M1125 VanDerWaalsContact C-N 3.26Å; S1123-M1125 PolarHBondContact O-N 3.33Å; S1123-M1125 PolarHBondContact OG-O 3.21Å; M1125-G1127 PolarHBondContact O-N 3.16Å; M1125-L1149 HydrophobicContact CE-CD2 4.24Å; M1125-L1149 HydrophobicContact CG-CD2 3.72Å; M1125-A1151 HydrophobicContact CE-CB 3.38Å; M1125-A1151 HydrophobicContact CG-CB 4.21Å; M1125-A1151 HydrophobicContact SD-CB 3.82Å; M1125-M1156 HydrophobicContact CE-CB 4.33Å; M1125-M1156 HydrophobicContact CE-CE 3.65Å; M1125-M1156 HydrophobicContact CE-SD 4.16Å; M1125-M1156 HydrophobicContact CG-CE 4.15Å; M1125-M1156 HydrophobicContact SD-CE 4.33Å
1126	P	77.1	Confident	85.9	Confident	80 Å²	80	55.1 Å²	55.1	52%	0.519	32%	0.319	S	S	.	.	S	Bend	trans	-62	135.3	170.6	-20.2	32.4	0	0	0	111.4	A1151 V1177	P1126-A1151 WeakPolarHBondContact O-CB 3.4Å; P1126-V1177 VanDerWaalsContact CA-O 3.24Å; P1126-V1177 WeakPolarHBondContact CA-O 3.46Å
1127	G	81.4	Confident	86.7	Confident	17 Å²	17	53.6 Å²	53.6	18%	0.175	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-171.1	-177.7	0	0	0	0	0	112.6	M1125 S1150 K1176 V1177	M1125-G1127 PolarHBondContact O-N 3.16Å; G1127-S1150 CarbonylContact C-O 3.49Å; G1127-S1150 VanDerWaalsContact CA-O 3.29Å; G1127-S1150 WeakPolarHBondContact CA-O 3.4Å; G1127-K1176 WeakPolarHBondContact O-CA 3.37Å; G1127-V1177 PolarHBondContact N-O 3.11Å; G1127-V1177 PolarHBondContact O-N 3.48Å
1128	E	85.5	Confident	87.2	Confident	88 Å²	88	52.9 Å²	52.9	41%	0.411	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130	176	-171.9	176.7	148.6	0	0	110	V1130 L1149 S1150 K1176	E1128-V1130 PolarHBondContact O-N 3.46Å; E1128-L1149 CarbonylContact O-C 3.59Å; E1128-S1150 PolarHBondContact N-O 2.73Å; E1128-S1150 PolarHBondContact O-N 3.28Å; E1128-K1176 HydrophobicContact CG-CG 4.5Å
1129	L	85.7	Confident	87.7	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	109.9	175.6	-89.1	153.8	0	0	0	110.2	I1132 A1147 T1148 L1149 V1171 G1174 M1175 V1177 L1183	L1129-I1132 HydrophobicContact CD2-CG1 4.46Å; L1129-A1147 HydrophobicContact CD2-CB 3.56Å; L1129-T1148 CarbonylContact C-O 3.56Å; L1129-L1149 HydrophobicContact CG-CD1 4.36Å; L1129-V1171 HydrophobicContact CD1-CB 3.66Å; L1129-V1171 HydrophobicContact CD1-CG1 4.12Å; L1129-V1171 HydrophobicContact CD1-CG2 3.57Å; L1129-G1174 WeakPolarHBondContact O-CA 3.32Å; L1129-G1174 PolarHBondContact O-N 3.47Å; L1129-M1175 PolarHBondContact N-O 3.26Å; L1129-V1177 HydrophobicContact CD1-CG1 3.83Å; L1129-L1183 HydrophobicContact CD1-CD2 4.18Å
1130	V	85.6	Confident	88.1	Confident	57 Å²	57	50.9 Å²	50.9	35%	0.345	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-48	179.3	-172.6	0	0	0	0	110.6	E1128 T1148 S1150 S1173	E1128-V1130 PolarHBondContact O-N 3.46Å; V1130-T1148 HydrophobicContact CB-CG2 4.38Å; V1130-T1148 PolarHBondContact N-O 2.86Å; V1130-S1150 VanDerWaalsContact CG2-CB 3.48Å; V1130-S1173 PolarHBondContact O-OG 3.32Å
1131	T	87.6	Confident	88.1	Confident	52 Å²	52	57.3 Å²	57.3	32%	0.319	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.7	-179.5	68.1	0	0	0	0	111.5	N1133 A1147 T1148	T1131-N1133 PolarHBondContact OG1-OD1 3.49Å; T1131-A1147 CarbonylContact O-C 3.57Å; T1131-A1147 WeakPolarHBondContact O-CA 3.38Å; T1131-A1147 VanDerWaalsContact O-CB 3.22Å; T1131-A1147 WeakPolarHBondContact O-CB 3.29Å; T1131-T1148 PolarHBondContact N-O 2.88Å; T1131-T1148 PolarHBondContact O-N 2.73Å; T1131-T1148 WeakPolarHBondContact OG1-CB 3.15Å; T1131-T1148 PolarHBondContact OG1-OG1 3.15Å
1132	I	91.5	Very high	88.2	Confident	46 Å²	46	64.2 Å²	64.2	24%	0.236	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.3	165.3	-61.7	174	0	0	0	107.2	L1129 V1134 A1147 I1169 V1171 F1184	L1129-I1132 HydrophobicContact CD2-CG1 4.46Å; I1132-V1134 HydrophobicContact CG2-CG2 4.5Å; I1132-A1147 HydrophobicContact CG1-CB 4.5Å; I1132-I1169 HydrophobicContact CD1-CG2 4.37Å; I1132-I1169 HydrophobicContact CG2-CD1 4.39Å; I1132-V1171 HydrophobicContact CD1-CG2 4.08Å; I1132-V1171 VanDerWaalsContact CD1-O 3.31Å; I1132-V1171 WeakPolarHBondContact CD1-O 3.39Å; I1132-F1184 HydrophobicContact CG2-CE1 4.14Å; I1132-F1184 HydrophobicContact CG2-CZ 4.24Å
1133	N	91.1	Very high	88	Confident	80 Å²	80	65.4 Å²	65.4	43%	0.428	37%	0.366	S	S	.	.			trans	-106.1	3.5	-168.2	-66.8	23.8	0	0	0	113.4	T1131 L1146	T1131-N1133 PolarHBondContact OG1-OD1 3.49Å; N1133-L1146 PolarHBondContact N-O 3.31Å
1134	V	93	Very high	88.2	Confident	9 Å²	9	68.9 Å²	68.9	6%	0.055	38%	0.382	C	S	.	.			trans	-137.6	163.8	-177	-65.7	0	0	0	0	111.5	I1132 V1140 L1146 V1166 I1169 F1184	I1132-V1134 HydrophobicContact CG2-CG2 4.5Å; V1134-V1140 HydrophobicContact CG1-CG1 3.92Å; V1134-L1146 HydrophobicContact CG1-CD2 3.79Å; V1134-L1146 HydrophobicContact CG2-CB 4.33Å; V1134-L1146 HydrophobicContact CG2-CD2 4.07Å; V1134-V1166 HydrophobicContact CB-CG2 4.47Å; V1134-V1166 HydrophobicContact CG2-CG2 4.37Å; V1134-I1169 HydrophobicContact CG2-CD1 4.34Å; V1134-I1169 VanDerWaalsContact O-CD1 3.3Å; V1134-I1169 WeakPolarHBondContact O-CD1 3.49Å; V1134-F1184 HydrophobicContact CG2-CD1 4.16Å; V1134-F1184 HydrophobicContact CG2-CE1 3.69Å; V1134-F1184 HydrophobicContact CG2-CZ 4.45Å
1135	K	92.4	Very high	88.7	Confident	151 Å²	151	69.2 Å²	69.2	66%	0.657	38%	0.376	S	S	*	.			trans	-122	158.7	175	-60.2	180	-176.5	180	0	111.1	G1137 D1138	K1135-G1137 PolarHBondContact O-N 3.39Å; K1135-D1138 PolarHBondContact N-OD2 2.77Å; K1135-D1138 WeakPolarHBondContact O-CB 3.43Å; K1135-D1138 PolarHBondContact O-N 2.86Å; K1135-D1138 VanDerWaalsContact O-N 3.13Å
1136	E	93.5	Very high	89.3	Confident	109 Å²	109	68 Å²	68	51%	0.509	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	129.5	169.5	-63.3	-174.6	165	0	0	109.8	K1168 I1169	E1136-K1168 WeakPolarHBondContact OE1-CA 3.27Å; E1136-K1168 WeakPolarHBondContact OE1-CG 3.35Å; E1136-I1169 HydrophobicContact CG-CB 4.24Å; E1136-I1169 HydrophobicContact CG-CD1 4.27Å; E1136-I1169 HydrophobicContact CG-CG1 3.84Å; E1136-I1169 PolarHBondContact OE1-N 3.47Å
1137	G	90.6	Very high	90	Very high	50 Å²	50	64.2 Å²	64.2	52%	0.515	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-9.6	-174	0	0	0	0	0	115.4	K1135 V1166	K1135-G1137 PolarHBondContact O-N 3.39Å; G1137-V1166 PolarHBondContact N-O 3.12Å
1138	D	93.3	Very high	90.4	Very high	64 Å²	64	63.7 Å²	63.7	34%	0.342	34%	0.339	S	S	.	.			trans	-69.8	136.9	177	-73.6	-12.8	0	0	0	111	K1135 V1166	K1135-D1138 PolarHBondContact N-OD2 2.77Å; K1135-D1138 WeakPolarHBondContact O-CB 3.43Å; K1135-D1138 PolarHBondContact O-N 2.86Å; K1135-D1138 VanDerWaalsContact O-N 3.13Å; D1138-V1166 PolarHBondContact O-N 3.11Å
1139	V	92.3	Very high	90.4	Very high	119 Å²	119	59.5 Å²	59.5	72%	0.721	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.5	169.2	-179.3	0	0	0	0	108.4
1140	V	92.4	Very high	90.2	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.6	-178.8	-60.7	0	0	0	0	112.3	V1134 Q1144 L1146 A1163 G1164 V1166 I1186	V1134-V1140 HydrophobicContact CG1-CG1 3.92Å; V1140-Q1144 VanDerWaalsContact CA-OE1 3.23Å; V1140-Q1144 HydrophobicContact CB-CB 4.45Å; V1140-L1146 HydrophobicContact CB-CD2 4.41Å; V1140-L1146 HydrophobicContact CG1-CD2 3.98Å; V1140-L1146 HydrophobicContact CG2-CD2 4.41Å; V1140-A1163 VanDerWaalsContact O-CA 3.28Å; V1140-A1163 WeakPolarHBondContact O-CA 3.34Å; V1140-G1164 PolarHBondContact N-O 3.19Å; V1140-G1164 PolarHBondContact O-N 3.09Å; V1140-V1166 HydrophobicContact CG1-CG2 3.81Å; V1140-V1166 HydrophobicContact CG2-CG2 4.25Å; V1140-I1186 HydrophobicContact CG2-CD1 3.86Å; V1140-I1186 HydrophobicContact CG2-CG2 4.3Å
1141	E	91.5	Very high	89.5	Confident	146 Å²	146	59.2 Å²	59.2	68%	0.682	32%	0.321	S	S	*	.			trans	-85.9	155.8	173	-65.3	-176.3	178.9	0	0	111.6	G1143 Q1144	E1141-G1143 PolarHBondContact O-N 3.32Å; E1141-Q1144 WeakPolarHBondContact O-CB 3.29Å; E1141-Q1144 PolarHBondContact O-N 2.7Å
1142	K	90.7	Very high	88.6	Confident	161 Å²	161	62.3 Å²	62.3	70%	0.7	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	123.3	171.9	-177.9	-178.7	-180	-169.6	0	109.7
1143	G	84.8	Confident	86.9	Confident	46 Å²	46	68.6 Å²	68.6	47%	0.474	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-8.1	-177.7	0	0	0	0	0	114.5	E1141 T1159 S1160	E1141-G1143 PolarHBondContact O-N 3.32Å; G1143-T1159 WeakPolarHBondContact O-CG2 3.39Å; G1143-S1160 PolarHBondContact N-O 2.99Å
1144	Q	90.9	Very high	85.5	Confident	75 Å²	75	70.2 Å²	70.2	35%	0.35	37%	0.365	S	S	.	.			trans	-62.3	137.4	177.3	-175.8	172.4	-19.8	0	0	111.2	V1140 E1141 L1146 T1159 S1160	V1140-Q1144 VanDerWaalsContact CA-OE1 3.23Å; V1140-Q1144 HydrophobicContact CB-CB 4.45Å; E1141-Q1144 WeakPolarHBondContact O-CB 3.29Å; E1141-Q1144 PolarHBondContact O-N 2.7Å; Q1144-L1146 PolarHBondContact O-N 3.34Å; Q1144-T1159 CarbonylContact O-C 3.42Å; Q1144-T1159 VanDerWaalsContact O-CA 3.22Å; Q1144-T1159 WeakPolarHBondContact O-CA 3.44Å; Q1144-S1160 PolarHBondContact O-N 3.27Å
1145	K	91.5	Very high	84.6	Confident	77 Å²	77	76.6 Å²	76.6	34%	0.335	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121.1	178.8	-178.6	173	176	167.7	0	110.9	T1148 S1157	K1145-T1148 WeakPolarHBondContact CE-OG1 3.37Å; K1145-T1148 PolarHBondContact NZ-OG1 2.78Å; K1145-S1157 WeakPolarHBondContact CD-OG 3.49Å; K1145-S1157 WeakPolarHBondContact CE-OG 3.42Å; K1145-S1157 PolarHBondContact NZ-OG 3.1Å
1146	L	93.1	Very high	83.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-37.5	-179.8	-56	178.3	0	0	0	112.5	I1121 N1133 V1134 V1140 Q1144 I1158 F1184 I1186	I1121-L1146 HydrophobicContact CD1-CD1 3.34Å; N1133-L1146 PolarHBondContact N-O 3.31Å; V1134-L1146 HydrophobicContact CG1-CD2 3.79Å; V1134-L1146 HydrophobicContact CG2-CB 4.33Å; V1134-L1146 HydrophobicContact CG2-CD2 4.07Å; V1140-L1146 HydrophobicContact CB-CD2 4.41Å; V1140-L1146 HydrophobicContact CG1-CD2 3.98Å; V1140-L1146 HydrophobicContact CG2-CD2 4.41Å; Q1144-L1146 PolarHBondContact O-N 3.34Å; L1146-I1158 PolarHBondContact N-O 2.94Å; L1146-F1184 HydrophobicContact CB-CD2 4.25Å; L1146-F1184 HydrophobicContact CB-CE1 4.45Å; L1146-F1184 HydrophobicContact CB-CE2 3.86Å; L1146-F1184 HydrophobicContact CB-CZ 3.99Å; L1146-F1184 HydrophobicContact CD1-CD2 3.98Å; L1146-F1184 HydrophobicContact CD1-CE2 4.42Å; L1146-F1184 HydrophobicContact CD1-CG 4.23Å; L1146-I1186 HydrophobicContact CD1-CD1 4Å
1147	A	91.8	Very high	83.4	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	171.3	-178.8	0	0	0	0	0	112.6	L1129 T1131 I1132 S1157 I1158 F1184	L1129-A1147 HydrophobicContact CD2-CB 3.56Å; T1131-A1147 CarbonylContact O-C 3.57Å; T1131-A1147 WeakPolarHBondContact O-CA 3.38Å; T1131-A1147 VanDerWaalsContact O-CB 3.22Å; T1131-A1147 WeakPolarHBondContact O-CB 3.29Å; I1132-A1147 HydrophobicContact CG1-CB 4.5Å; A1147-S1157 WeakPolarHBondContact O-CA 3.37Å; A1147-I1158 HydrophobicContact CB-CB 4.27Å; A1147-I1158 HydrophobicContact CB-CG1 4.42Å; A1147-I1158 PolarHBondContact N-O 3.44Å; A1147-I1158 PolarHBondContact O-N 3.34Å; A1147-F1184 HydrophobicContact CB-CE2 4.12Å; A1147-F1184 HydrophobicContact CB-CZ 3.94Å
1148	T	88.8	Confident	83.3	Confident	7 Å²	7	68.3 Å²	68.3	4%	0.043	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.2	171.1	-47.2	0	0	0	0	109.5	L1129 V1130 T1131 K1145 E1155 M1156	L1129-T1148 CarbonylContact C-O 3.56Å; V1130-T1148 HydrophobicContact CB-CG2 4.38Å; V1130-T1148 PolarHBondContact N-O 2.86Å; T1131-T1148 PolarHBondContact N-O 2.88Å; T1131-T1148 PolarHBondContact O-N 2.73Å; T1131-T1148 WeakPolarHBondContact OG1-CB 3.15Å; T1131-T1148 PolarHBondContact OG1-OG1 3.15Å; K1145-T1148 WeakPolarHBondContact CE-OG1 3.37Å; K1145-T1148 PolarHBondContact NZ-OG1 2.78Å; T1148-E1155 HydrophobicContact CG2-CB 4Å; T1148-E1155 HydrophobicContact CG2-CG 4.4Å; T1148-M1156 CarbonylContact C-O 3.54Å; T1148-M1156 WeakPolarHBondContact CA-O 3.25Å
1149	L	86.6	Confident	83.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131	176.7	-175.5	77.7	0	0	0	109.6	P1124 M1125 E1128 L1129 E1155 M1156 I1158 V1177	P1124-L1149 HydrophobicContact CG-CD2 4.49Å; M1125-L1149 HydrophobicContact CE-CD2 4.24Å; M1125-L1149 HydrophobicContact CG-CD2 3.72Å; E1128-L1149 CarbonylContact O-C 3.59Å; L1129-L1149 HydrophobicContact CG-CD1 4.36Å; L1149-E1155 CarbonylContact O-C 3.41Å; L1149-E1155 WeakPolarHBondContact O-CA 3.45Å; L1149-M1156 HydrophobicContact CD2-CE 4.16Å; L1149-M1156 PolarHBondContact N-O 3.11Å; L1149-M1156 PolarHBondContact O-N 3.44Å; L1149-I1158 HydrophobicContact CB-CD1 4.4Å; L1149-I1158 HydrophobicContact CB-CG1 4.46Å; L1149-V1177 HydrophobicContact CD1-CG2 3.51Å
1150	S	80.6	Confident	83.1	Confident	41 Å²	41	63 Å²	63	29%	0.287	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.2	170.4	-179.6	0	0	0	0	109.9	G1127 E1128 V1130 M1154	G1127-S1150 CarbonylContact C-O 3.49Å; G1127-S1150 VanDerWaalsContact CA-O 3.29Å; G1127-S1150 WeakPolarHBondContact CA-O 3.4Å; E1128-S1150 PolarHBondContact N-O 2.73Å; E1128-S1150 PolarHBondContact O-N 3.28Å; V1130-S1150 VanDerWaalsContact CG2-CB 3.48Å; S1150-M1154 WeakPolarHBondContact CA-O 3.23Å
1151	A	72.2	Confident	82.9	Confident	9 Å²	9	65.8 Å²	65.8	7%	0.074	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140.8	168.8	0	0	0	0	0	110.3	M1125 P1126 K1153 M1154	M1125-A1151 HydrophobicContact CE-CB 3.38Å; M1125-A1151 HydrophobicContact CG-CB 4.21Å; M1125-A1151 HydrophobicContact SD-CB 3.82Å; P1126-A1151 WeakPolarHBondContact O-CB 3.4Å; A1151-K1153 PolarHBondContact O-N 2.9Å; A1151-K1153 VanDerWaalsContact O-N 3.15Å; A1151-M1154 PolarHBondContact N-O 2.84Å; A1151-M1154 WeakPolarHBondContact O-CB 3.42Å; A1151-M1154 PolarHBondContact O-N 3.21Å
1152	M	69.1	Low	82.8	Confident	118 Å²	118	60.7 Å²	60.7	58%	0.581	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.1	-179.5	-54.8	-176.9	-172.9	0	0	114	P428 M1154	P428-M1152 HydrophobicContact CB-CE 4.31Å; M1152-M1154 PolarHBondContact O-N 3.32Å
1153	K	54.8	Low	82.8	Confident	177 Å²	177	56.3 Å²	56.3	77%	0.77	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	16.1	-174.7	-49.6	177.4	178.8	179.9	0	114.7	A1151	A1151-K1153 PolarHBondContact O-N 2.9Å; A1151-K1153 VanDerWaalsContact O-N 3.15Å
1154	M	61.4	Low	83.1	Confident	114 Å²	114	54.9 Å²	54.9	56%	0.562	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.6	171.1	-60.5	-172.1	-64	0	0	108.9	S1150 A1151 M1152	S1150-M1154 WeakPolarHBondContact CA-O 3.23Å; A1151-M1154 PolarHBondContact N-O 2.84Å; A1151-M1154 WeakPolarHBondContact O-CB 3.42Å; A1151-M1154 PolarHBondContact O-N 3.21Å; M1152-M1154 PolarHBondContact O-N 3.32Å
1155	E	74.8	Confident	83.1	Confident	143 Å²	143	53.7 Å²	53.7	67%	0.668	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.1	165.9	-68.2	-171.5	170.9	0	0	109.3	T1148 L1149	T1148-E1155 HydrophobicContact CG2-CB 4Å; T1148-E1155 HydrophobicContact CG2-CG 4.4Å; L1149-E1155 CarbonylContact O-C 3.41Å; L1149-E1155 WeakPolarHBondContact O-CA 3.45Å
1156	M	76.2	Confident	83.3	Confident	64 Å²	64	50 Å²	50	32%	0.315	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.2	179.3	-173.2	171.9	66.2	0	0	109.6	P1124 M1125 T1148 L1149 I1158	P1124-M1156 HydrophobicContact CB-CE 4.08Å; P1124-M1156 HydrophobicContact CG-CE 3.21Å; M1125-M1156 HydrophobicContact CE-CB 4.33Å; M1125-M1156 HydrophobicContact CE-CE 3.65Å; M1125-M1156 HydrophobicContact CE-SD 4.16Å; M1125-M1156 HydrophobicContact CG-CE 4.15Å; M1125-M1156 HydrophobicContact SD-CE 4.33Å; T1148-M1156 CarbonylContact C-O 3.54Å; T1148-M1156 WeakPolarHBondContact CA-O 3.25Å; L1149-M1156 HydrophobicContact CD2-CE 4.16Å; L1149-M1156 PolarHBondContact N-O 3.11Å; L1149-M1156 PolarHBondContact O-N 3.44Å; M1156-I1158 HydrophobicContact CE-CD1 4.28Å
1157	S	84.1	Confident	83.2	Confident	61 Å²	61	55.7 Å²	55.7	43%	0.427	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.7	177	-62.3	0	0	0	0	110.5	K1145 A1147	K1145-S1157 WeakPolarHBondContact CD-OG 3.49Å; K1145-S1157 WeakPolarHBondContact CE-OG 3.42Å; K1145-S1157 PolarHBondContact NZ-OG 3.1Å; A1147-S1157 WeakPolarHBondContact O-CA 3.37Å
1158	I	87.3	Confident	83.2	Confident	11 Å²	11	60.8 Å²	60.8	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.9	169.7	-54.2	-57.6	0	0	0	107.8	I1121 P1124 L1146 A1147 L1149 M1156 L1183 F1184	I1121-I1158 HydrophobicContact CG2-CG2 4.09Å; P1124-I1158 VanDerWaalsContact CD-CD1 3.45Å; P1124-I1158 HydrophobicContact CG-CD1 3.56Å; L1146-I1158 PolarHBondContact N-O 2.94Å; A1147-I1158 HydrophobicContact CB-CB 4.27Å; A1147-I1158 HydrophobicContact CB-CG1 4.42Å; A1147-I1158 PolarHBondContact N-O 3.44Å; A1147-I1158 PolarHBondContact O-N 3.34Å; L1149-I1158 HydrophobicContact CB-CD1 4.4Å; L1149-I1158 HydrophobicContact CB-CG1 4.46Å; M1156-I1158 HydrophobicContact CE-CD1 4.28Å; I1158-L1183 HydrophobicContact CG1-CD1 4.33Å; I1158-L1183 HydrophobicContact CG2-CD1 4.33Å; I1158-F1184 HydrophobicContact CG2-CE2 4.43Å
1159	T	91	Very high	83.4	Confident	70 Å²	70	62.1 Å²	62.1	43%	0.429	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156	-176.4	56.1	0	0	0	0	112.1	G1143 Q1144	G1143-T1159 WeakPolarHBondContact O-CG2 3.39Å; Q1144-T1159 CarbonylContact O-C 3.42Å; Q1144-T1159 VanDerWaalsContact O-CA 3.22Å; Q1144-T1159 WeakPolarHBondContact O-CA 3.44Å
1160	S	91.5	Very high	83.5	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	34%	0.343	C	S	.	.			trans	-74.4	127.7	177.8	-170.5	0	0	0	0	112.1	G1143 Q1144 I1162 I1186	G1143-S1160 PolarHBondContact N-O 2.99Å; Q1144-S1160 PolarHBondContact O-N 3.27Å; S1160-I1162 VanDerWaalsContact C-N 3.33Å; S1160-I1162 PolarHBondContact OG-O 3.43Å; S1160-I1186 WeakPolarHBondContact OG-CD1 3.43Å
1161	P	87.4	Confident	83.9	Confident	60 Å²	60	63 Å²	63	39%	0.39	33%	0.334	S	S	.	.	S	Bend	trans	-79.6	-14.8	176.2	32.9	-34.7	0	0	0	113.5	K1118 I1121	K1118-P1161 WeakPolarHBondContact O-CG 3.26Å; I1121-P1161 VanDerWaalsContact CD1-CD 3.43Å; I1121-P1161 HydrophobicContact CD1-CG 4.3Å; I1121-P1161 HydrophobicContact CG1-CG 4.25Å
1162	I	89.6	Confident	84.5	Confident	38 Å²	38	65.8 Å²	65.8	20%	0.195	35%	0.353	C	S	.	.	S	Bend	trans	-133	159.9	-178.6	61.3	172.6	0	0	0	110.6	K1118 S1160 I1186	K1118-I1162 HydrophobicContact CB-CG2 3.78Å; K1118-I1162 HydrophobicContact CD-CG2 4.25Å; S1160-I1162 VanDerWaalsContact C-N 3.33Å; S1160-I1162 PolarHBondContact OG-O 3.43Å; I1162-I1186 HydrophobicContact CD1-CB 4.14Å; I1162-I1186 HydrophobicContact CD1-CG2 3.9Å; I1162-I1186 HydrophobicContact CG1-CB 4.29Å; I1162-I1186 HydrophobicContact CG1-CG2 3.89Å
1163	A	90.7	Very high	85.3	Confident	70 Å²	70	63.6 Å²	63.6	58%	0.579	35%	0.349	S	S	*	.			trans	-84.5	141.2	162	0	0	0	0	0	108.3	V1140	V1140-A1163 VanDerWaalsContact O-CA 3.28Å; V1140-A1163 WeakPolarHBondContact O-CA 3.34Å
1164	G	90.9	Very high	86.5	Confident	15 Å²	15	57.1 Å²	57.1	16%	0.155	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-175.5	-176.7	0	0	0	0	0	113.6	V1140 E1187	V1140-G1164 PolarHBondContact N-O 3.19Å; V1140-G1164 PolarHBondContact O-N 3.09Å; G1164-E1187 CarbonylContact C-O 3.53Å; G1164-E1187 WeakPolarHBondContact CA-O 3.21Å
1165	C	92.3	Very high	87.6	Confident	50 Å²	50	53.4 Å²	53.4	34%	0.338	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.6	176.3	-173.4	0	0	0	0	110.3	K1167 I1186 E1187	C1165-K1167 PolarHBondContact O-N 3.11Å; C1165-I1186 WeakPolarHBondContact O-CA 3.32Å; C1165-E1187 PolarHBondContact N-O 2.82Å; C1165-E1187 PolarHBondContact O-N 3.28Å
1166	V	93.9	Very high	87.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	100.8	174.6	-179.7	0	0	0	0	108.8	V1134 G1137 D1138 V1140 I1169 D1185 I1186	V1134-V1166 HydrophobicContact CB-CG2 4.47Å; V1134-V1166 HydrophobicContact CG2-CG2 4.37Å; G1137-V1166 PolarHBondContact N-O 3.12Å; D1138-V1166 PolarHBondContact O-N 3.11Å; V1140-V1166 HydrophobicContact CG1-CG2 3.81Å; V1140-V1166 HydrophobicContact CG2-CG2 4.25Å; V1166-I1169 HydrophobicContact CG1-CD1 4.39Å; V1166-I1169 HydrophobicContact CG1-CG1 3.87Å; V1166-D1185 CarbonylContact C-O 3.47Å; V1166-I1186 HydrophobicContact CG2-CG1 4.5Å
1167	K	92.8	Very high	88.2	Confident	119 Å²	119	51.4 Å²	51.4	52%	0.517	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-40.7	-178.4	-174.4	177.9	-167.7	154.4	0	112.2	C1165 D1185 E1187	C1165-K1167 PolarHBondContact O-N 3.11Å; K1167-D1185 HydrophobicContact CB-CB 4.24Å; K1167-D1185 WeakPolarHBondContact CB-O 3.32Å; K1167-D1185 PolarHBondContact N-O 3.26Å; K1167-E1187 WeakPolarHBondContact CD-OE2 3.5Å; K1167-E1187 WeakPolarHBondContact CE-OE2 3.49Å; K1167-E1187 IonicContact NZ-OE1 2.88Å; K1167-E1187 PolarHBondContact NZ-OE1 2.9Å; K1167-E1187 IonicContact NZ-OE2 2.77Å; K1167-E1187 PolarHBondContact NZ-OE2 3.42Å
1168	K	92.1	Very high	87.9	Confident	108 Å²	108	51.7 Å²	51.7	47%	0.47	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	141.8	-175.1	-159.5	164.4	-177.5	171.7	0	112.7	E1136 F1184 D1185	E1136-K1168 WeakPolarHBondContact OE1-CA 3.27Å; E1136-K1168 WeakPolarHBondContact OE1-CG 3.35Å; K1168-F1184 WeakPolarHBondContact O-CA 3.3Å; K1168-D1185 HydrophobicContact CB-CB 4.39Å; K1168-D1185 PolarHBondContact N-O 3.43Å; K1168-D1185 PolarHBondContact O-N 3.09Å
1169	I	92.2	Very high	87.5	Confident	34 Å²	34	52.3 Å²	52.3	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.5	172.1	-56.3	178.4	0	0	0	108.2	I1132 V1134 E1136 V1166 V1171 F1184	I1132-I1169 HydrophobicContact CD1-CG2 4.37Å; I1132-I1169 HydrophobicContact CG2-CD1 4.39Å; V1134-I1169 HydrophobicContact CG2-CD1 4.34Å; V1134-I1169 VanDerWaalsContact O-CD1 3.3Å; V1134-I1169 WeakPolarHBondContact O-CD1 3.49Å; E1136-I1169 HydrophobicContact CG-CB 4.24Å; E1136-I1169 HydrophobicContact CG-CD1 4.27Å; E1136-I1169 HydrophobicContact CG-CG1 3.84Å; E1136-I1169 PolarHBondContact OE1-N 3.47Å; V1166-I1169 HydrophobicContact CG1-CD1 4.39Å; V1166-I1169 HydrophobicContact CG1-CG1 3.87Å; I1169-V1171 HydrophobicContact CG2-CG2 4.2Å; I1169-V1171 WeakPolarHBondContact CG2-O 3.4Å; I1169-F1184 HydrophobicContact CB-CD1 4.48Å; I1169-F1184 HydrophobicContact CD1-CE1 4.26Å; I1169-F1184 HydrophobicContact CG1-CD1 3.91Å; I1169-F1184 HydrophobicContact CG1-CE1 4.03Å; I1169-F1184 HydrophobicContact CG2-CD1 4.28Å; I1169-F1184 HydrophobicContact CG2-CE1 3.93Å
1170	H	88.6	Confident	87.1	Confident	46 Å²	46	52.5 Å²	52.5	21%	0.213	31%	0.312	C	S	.	.			trans	-96.8	3	-173.5	-66	-92.9	0	0	0	113.8	L1182 L1183 D1185	H1170-L1182 WeakPolarHBondContact CB-O 3.25Å; H1170-L1182 VanDerWaalsContact NE2-CD2 3.33Å; H1170-L1182 WeakPolarHBondContact NE2-CD2 3.48Å; H1170-L1183 PolarHBondContact N-O 2.64Å; H1170-D1185 IonicContact CD2-OD2 2.65Å; H1170-D1185 IonicContact CE1-OD2 3.81Å; H1170-D1185 IonicContact NE2-OD2 2.76Å; H1170-D1185 PolarHBondContact NE2-OD2 3.08Å
1171	V	88.4	Confident	86.8	Confident	15 Å²	15	52.9 Å²	52.9	9%	0.091	31%	0.314	C	S	.	.			trans	-139	162.8	-169.6	-68.5	0	0	0	0	113	L1129 I1132 I1169 M1175 V1177 L1183	L1129-V1171 HydrophobicContact CD1-CB 3.66Å; L1129-V1171 HydrophobicContact CD1-CG1 4.12Å; L1129-V1171 HydrophobicContact CD1-CG2 3.57Å; I1132-V1171 HydrophobicContact CD1-CG2 4.08Å; I1132-V1171 VanDerWaalsContact CD1-O 3.31Å; I1132-V1171 WeakPolarHBondContact CD1-O 3.39Å; I1169-V1171 HydrophobicContact CG2-CG2 4.2Å; I1169-V1171 WeakPolarHBondContact CG2-O 3.4Å; V1171-M1175 HydrophobicContact CB-SD 3.89Å; V1171-M1175 HydrophobicContact CG1-CE 4.47Å; V1171-M1175 HydrophobicContact CG1-SD 4.02Å; V1171-V1177 HydrophobicContact CG1-CG1 4.02Å; V1171-L1183 HydrophobicContact CB-CD2 4.45Å; V1171-L1183 HydrophobicContact CG1-CD2 3.67Å; V1171-L1183 HydrophobicContact CG2-CB 4.25Å; V1171-L1183 HydrophobicContact CG2-CD2 4.09Å
1172	S	85.6	Confident	87	Confident	67 Å²	67	50.4 Å²	50.4	47%	0.469	30%	0.297	S	S	.	.			trans	-123.7	161.3	177.1	58.2	0	0	0	0	112.6	M1175	S1172-M1175 PolarHBondContact N-SD 2.95Å; S1172-M1175 VanDerWaalsContact N-SD 3.42Å; S1172-M1175 WeakPolarHBondContact O-CB 3.08Å; S1172-M1175 PolarHBondContact O-N 2.93Å
1173	S	86.1	Confident	87	Confident	71 Å²	71	48.6 Å²	48.6	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	137.8	173.6	-131	0	0	0	0	110.6	V1130 M1175	V1130-S1173 PolarHBondContact O-OG 3.32Å; S1173-M1175 VanDerWaalsContact C-N 3.27Å
1174	G	79.8	Confident	87.1	Confident	42 Å²	42	45.3 Å²	45.3	43%	0.433	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-1.6	-173.5	0	0	0	0	0	114.2	L1129	L1129-G1174 WeakPolarHBondContact O-CA 3.32Å; L1129-G1174 PolarHBondContact O-N 3.47Å
1175	M	85	Confident	87.2	Confident	35 Å²	35	46.3 Å²	46.3	17%	0.172	26%	0.262	C	S	.	.			trans	-77.3	134	-177.5	-167.7	170	178	0	0	111.4	H1110 L1129 V1171 S1172 S1173	H1110-M1175 WeakPolarHBondContact CE1-CE 3.27Å; H1110-M1175 WeakPolarHBondContact ND1-CE 3.48Å; H1110-M1175 WeakPolarHBondContact NE2-CE 3.23Å; L1129-M1175 PolarHBondContact N-O 3.26Å; V1171-M1175 HydrophobicContact CB-SD 3.89Å; V1171-M1175 HydrophobicContact CG1-CE 4.47Å; V1171-M1175 HydrophobicContact CG1-SD 4.02Å; S1172-M1175 PolarHBondContact N-SD 2.95Å; S1172-M1175 VanDerWaalsContact N-SD 3.42Å; S1172-M1175 WeakPolarHBondContact O-CB 3.08Å; S1172-M1175 PolarHBondContact O-N 2.93Å; S1173-M1175 VanDerWaalsContact C-N 3.27Å
1176	K	80.9	Confident	87.2	Confident	161 Å²	161	44.5 Å²	44.5	70%	0.7	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82	127.5	171.7	-69.8	-177.7	-179.5	177.5	0	109.5	G1127 E1128	G1127-K1176 WeakPolarHBondContact O-CA 3.37Å; E1128-K1176 HydrophobicContact CG-CG 4.5Å
1177	V	81.2	Confident	86.8	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.03	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.9	179.7	-65.9	0	0	0	0	109.8	S1123 P1126 G1127 L1129 L1149 V1171 D1181 L1183	S1123-V1177 WeakPolarHBondContact OG-CG2 3.4Å; P1126-V1177 VanDerWaalsContact CA-O 3.24Å; P1126-V1177 WeakPolarHBondContact CA-O 3.46Å; G1127-V1177 PolarHBondContact N-O 3.11Å; G1127-V1177 PolarHBondContact O-N 3.48Å; L1129-V1177 HydrophobicContact CD1-CG1 3.83Å; L1149-V1177 HydrophobicContact CD1-CG2 3.51Å; V1171-V1177 HydrophobicContact CG1-CG1 4.02Å; V1177-D1181 HydrophobicContact CB-CB 4.31Å; V1177-L1183 HydrophobicContact CB-CD2 4.49Å; V1177-L1183 HydrophobicContact CG1-CD2 3.96Å
1178	S	79.5	Confident	86.6	Confident	66 Å²	66	48.8 Å²	48.8	46%	0.462	27%	0.273	S	S	.	.			trans	-92.4	167	169.2	-61.5	0	0	0	0	110.4	S1123 D1181	S1123-S1178 WeakPolarHBondContact CB-O 3.25Å; S1178-D1181 PolarHBondContact N-OD2 3.21Å; S1178-D1181 WeakPolarHBondContact O-CB 3.35Å; S1178-D1181 PolarHBondContact O-N 3.29Å
1179	G	77.8	Confident	86.3	Confident	25 Å²	25	45.6 Å²	45.6	26%	0.258	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	142.7	170.6	0	0	0	0	0	111.9	K1112 D1181	K1112-G1179 PolarHBondContact NZ-O 3.16Å; G1179-D1181 PolarHBondContact O-N 3.23Å
1180	D	82.3	Confident	85.9	Confident	74 Å²	74	46.3 Å²	46.3	40%	0.396	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	2.1	-176.6	-68.5	-11.1	0	0	0	115.7	K1112 A1113 K1115 S1123 L1182	K1112-D1180 CarbonylContact C-O 3.56Å; K1112-D1180 VanDerWaalsContact CA-O 3.25Å; K1112-D1180 WeakPolarHBondContact CA-O 3.22Å; K1112-D1180 HydrophobicContact CD-CB 4.03Å; K1112-D1180 WeakPolarHBondContact CD-O 3.17Å; A1113-D1180 PolarHBondContact N-O 3.14Å; K1115-D1180 IonicContact NZ-OD2 3.56Å; K1115-D1180 PolarHBondContact NZ-OD2 2.99Å; S1123-D1180 PolarHBondContact O-N 3.04Å; D1180-L1182 PolarHBondContact O-N 3.36Å
1181	D	86.3	Confident	85.8	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.048	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-60.5	126.4	173.5	-75.5	-3.3	0	0	0	109.9	H1110 K1112 G1122 S1123 V1177 S1178 G1179 L1183	H1110-D1181 HydrophobicContact CB-CB 4.36Å; K1112-D1181 WeakPolarHBondContact CE-OD1 3.41Å; K1112-D1181 IonicContact NZ-OD1 3.79Å; K1112-D1181 PolarHBondContact NZ-OD1 2.7Å; G1122-D1181 CarbonylContact C-O 3.6Å; G1122-D1181 WeakPolarHBondContact CA-O 3.26Å; S1123-D1181 PolarHBondContact N-O 3.01Å; V1177-D1181 HydrophobicContact CB-CB 4.31Å; S1178-D1181 PolarHBondContact N-OD2 3.21Å; S1178-D1181 WeakPolarHBondContact O-CB 3.35Å; S1178-D1181 PolarHBondContact O-N 3.29Å; G1179-D1181 PolarHBondContact O-N 3.23Å; D1181-L1183 WeakPolarHBondContact O-CG 3.25Å; D1181-L1183 PolarHBondContact O-N 3.44Å
1182	L	90.3	Very high	85.6	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	123.6	179	-179.1	56.6	0	0	0	109.2	P1111 A1113 S1120 H1170 D1180 F1184	P1111-L1182 HydrophobicContact CB-CB 4.36Å; P1111-L1182 HydrophobicContact CB-CD2 4.2Å; P1111-L1182 HydrophobicContact CG-CB 4.24Å; P1111-L1182 HydrophobicContact CG-CD2 4.13Å; P1111-L1182 WeakPolarHBondContact O-CA 3.36Å; P1111-L1182 WeakPolarHBondContact O-CB 3.34Å; P1111-L1182 PolarHBondContact O-N 2.85Å; A1113-L1182 HydrophobicContact CB-CD1 4.22Å; S1120-L1182 VanDerWaalsContact OG-CD1 3.24Å; S1120-L1182 WeakPolarHBondContact OG-CD1 3.34Å; H1170-L1182 WeakPolarHBondContact CB-O 3.25Å; H1170-L1182 VanDerWaalsContact NE2-CD2 3.33Å; H1170-L1182 WeakPolarHBondContact NE2-CD2 3.48Å; D1180-L1182 PolarHBondContact O-N 3.36Å; L1182-F1184 WeakPolarHBondContact CD1-O 3.41Å
1183	L	91.2	Very high	85.6	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-49.1	179.3	-54	-175.5	0	0	0	110.4	I1121 L1129 I1158 H1170 V1171 V1177 D1181	I1121-L1183 WeakPolarHBondContact O-CB 3.3Å; I1121-L1183 PolarHBondContact O-N 3.3Å; L1129-L1183 HydrophobicContact CD1-CD2 4.18Å; I1158-L1183 HydrophobicContact CG1-CD1 4.33Å; I1158-L1183 HydrophobicContact CG2-CD1 4.33Å; H1170-L1183 PolarHBondContact N-O 2.64Å; V1171-L1183 HydrophobicContact CB-CD2 4.45Å; V1171-L1183 HydrophobicContact CG1-CD2 3.67Å; V1171-L1183 HydrophobicContact CG2-CB 4.25Å; V1171-L1183 HydrophobicContact CG2-CD2 4.09Å; V1177-L1183 HydrophobicContact CB-CD2 4.49Å; V1177-L1183 HydrophobicContact CG1-CD2 3.96Å; D1181-L1183 WeakPolarHBondContact O-CG 3.25Å; D1181-L1183 PolarHBondContact O-N 3.44Å
1184	F	92.6	Very high	85.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.9	-172.7	-54	-84.3	0	0	0	111.1	I1121 I1132 V1134 L1146 A1147 I1158 K1168 I1169 L1182	I1121-F1184 HydrophobicContact CB-CB 4.21Å; I1121-F1184 HydrophobicContact CB-CD2 4.46Å; I1121-F1184 HydrophobicContact CD1-CB 4.23Å; I1121-F1184 HydrophobicContact CG2-CD2 4.43Å; I1121-F1184 PolarHBondContact N-O 3.18Å; I1121-F1184 PolarHBondContact O-N 2.9Å; I1132-F1184 HydrophobicContact CG2-CE1 4.14Å; I1132-F1184 HydrophobicContact CG2-CZ 4.24Å; V1134-F1184 HydrophobicContact CG2-CD1 4.16Å; V1134-F1184 HydrophobicContact CG2-CE1 3.69Å; V1134-F1184 HydrophobicContact CG2-CZ 4.45Å; L1146-F1184 HydrophobicContact CB-CD2 4.25Å; L1146-F1184 HydrophobicContact CB-CE1 4.45Å; L1146-F1184 HydrophobicContact CB-CE2 3.86Å; L1146-F1184 HydrophobicContact CB-CZ 3.99Å; L1146-F1184 HydrophobicContact CD1-CD2 3.98Å; L1146-F1184 HydrophobicContact CD1-CE2 4.42Å; L1146-F1184 HydrophobicContact CD1-CG 4.23Å; A1147-F1184 HydrophobicContact CB-CE2 4.12Å; A1147-F1184 HydrophobicContact CB-CZ 3.94Å; I1158-F1184 HydrophobicContact CG2-CE2 4.43Å; K1168-F1184 WeakPolarHBondContact O-CA 3.3Å; I1169-F1184 HydrophobicContact CB-CD1 4.48Å; I1169-F1184 HydrophobicContact CD1-CE1 4.26Å; I1169-F1184 HydrophobicContact CG1-CD1 3.91Å; I1169-F1184 HydrophobicContact CG1-CE1 4.03Å; I1169-F1184 HydrophobicContact CG2-CD1 4.28Å; I1169-F1184 HydrophobicContact CG2-CE1 3.93Å; L1182-F1184 WeakPolarHBondContact CD1-O 3.41Å
1185	D	92.5	Very high	86	Confident	37 Å²	37	45.5 Å²	45.5	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.8	160.8	-73.6	-47.4	0	0	0	109.4	G1119 S1120 V1166 K1167 K1168 H1170	G1119-D1185 CarbonylContact O-C 3.55Å; G1119-D1185 WeakPolarHBondContact O-CA 3.39Å; S1120-D1185 PolarHBondContact OG-OD1 3.27Å; V1166-D1185 CarbonylContact C-O 3.47Å; K1167-D1185 HydrophobicContact CB-CB 4.24Å; K1167-D1185 WeakPolarHBondContact CB-O 3.32Å; K1167-D1185 PolarHBondContact N-O 3.26Å; K1168-D1185 HydrophobicContact CB-CB 4.39Å; K1168-D1185 PolarHBondContact N-O 3.43Å; K1168-D1185 PolarHBondContact O-N 3.09Å; H1170-D1185 IonicContact CD2-OD2 2.65Å; H1170-D1185 IonicContact CE1-OD2 3.81Å; H1170-D1185 IonicContact NE2-OD2 2.76Å; H1170-D1185 PolarHBondContact NE2-OD2 3.08Å
1186	I	91.5	Very high	86.1	Confident	11 Å²	11	46.4 Å²	46.4	6%	0.056	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.7	179.3	-55.1	-175.5	0	0	0	109.2	G1119 I1121 V1140 L1146 S1160 I1162 C1165 V1166	G1119-I1186 VanDerWaalsContact CA-O 3.28Å; G1119-I1186 WeakPolarHBondContact CA-O 3.41Å; G1119-I1186 PolarHBondContact O-N 3.47Å; I1121-I1186 HydrophobicContact CD1-CD1 3.49Å; I1121-I1186 VanDerWaalsContact CD1-CD1 3.49Å; I1121-I1186 HydrophobicContact CD1-CG1 4.14Å; V1140-I1186 HydrophobicContact CG2-CD1 3.86Å; V1140-I1186 HydrophobicContact CG2-CG2 4.3Å; L1146-I1186 HydrophobicContact CD1-CD1 4Å; S1160-I1186 WeakPolarHBondContact OG-CD1 3.43Å; I1162-I1186 HydrophobicContact CD1-CB 4.14Å; I1162-I1186 HydrophobicContact CD1-CG2 3.9Å; I1162-I1186 HydrophobicContact CG1-CB 4.29Å; I1162-I1186 HydrophobicContact CG1-CG2 3.89Å; C1165-I1186 WeakPolarHBondContact O-CA 3.32Å; V1166-I1186 HydrophobicContact CG2-CG1 4.5Å
1187	E	87.3	Confident	86.6	Confident	160 Å²	160	36 Å²	36	75%	0.748	20%	0.204	S	C	*	.			trans	-112.4	0	179.1	-118.3	169.2	-168.5	0	0	113	G1164 C1165 K1167	G1164-E1187 CarbonylContact C-O 3.53Å; G1164-E1187 WeakPolarHBondContact CA-O 3.21Å; C1165-E1187 PolarHBondContact N-O 2.82Å; C1165-E1187 PolarHBondContact O-N 3.28Å; K1167-E1187 WeakPolarHBondContact CD-OE2 3.5Å; K1167-E1187 WeakPolarHBondContact CE-OE2 3.49Å; K1167-E1187 IonicContact NZ-OE1 2.88Å; K1167-E1187 PolarHBondContact NZ-OE1 2.9Å; K1167-E1187 IonicContact NZ-OE2 2.77Å; K1167-E1187 PolarHBondContact NZ-OE2 3.42Å

Retrieved 1,187 of 1,187 residues in 2520.4 ms (Link to these results)

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